Synthesis and Molecular Structures of (3-Hydroxy, 3-Chloro, 3-Arylamino)-N-acetyl-3-arylaminotropones View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2018-01

AUTHORS

V. V. Tkachev, Yu. A. Sayapin, E. A. Gusakov, A. A. Kolodina, I. V. Dorogan, G. V. Shilov, S. M. Aldoshin, V. I. Minkin

ABSTRACT

The structures of 5,7-di(tert-butyl)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)-3-hydroxytropone, 5,7-di(tert-butyl)-3-chloro-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone, 5,7-di(tert-butyl)- 3-(3,5-dimethylphenylamino)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone, and 3-(N-acetyl-3,5- dimethylphenylamino)-5,7-di(tert-butyl)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone were determined by X-ray diffraction. These compounds were synthesized through a series of transformations, including the nucleophilic substitution of the chlorine atom by piperidine in the starting 5,7-di(tert-butyl)-2-(4- chloroquinolin-2-yl)-3-hydroxytropone followed by the three-step functionalization of the 3-position in 3-hydroxytropone. The nature of dynamic processes in a solution of N-acetyl-3-arylaminotropone associated with the rotation of the N-acetyl group was revealed by the PCM/PBE0/6-31G(d,p) method. More... »

PAGES

65-73

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1063774518010200

DOI

http://dx.doi.org/10.1134/s1063774518010200

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1101320522


Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
Incoming Citations Browse incoming citations for this publication using opencitations.net

JSON-LD is the canonical representation for SciGraph data.

TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

[
  {
    "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
    "about": [
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/03", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Chemical Sciences", 
        "type": "DefinedTerm"
      }, 
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0305", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Organic Chemistry", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432, Chernogolovka, Moscow Region, Russia", 
          "id": "http://www.grid.ac/institutes/grid.418949.9", 
          "name": [
            "Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432, Chernogolovka, Moscow Region, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Tkachev", 
        "givenName": "V. V.", 
        "id": "sg:person.016125023417.42", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016125023417.42"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Southern Scientific Center, Russian Academy of Sciences, 344006, Rostov-on-Don, Russia", 
          "id": "http://www.grid.ac/institutes/grid.465325.3", 
          "name": [
            "Southern Scientific Center, Russian Academy of Sciences, 344006, Rostov-on-Don, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Sayapin", 
        "givenName": "Yu. A.", 
        "id": "sg:person.015403724664.74", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015403724664.74"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia", 
          "id": "http://www.grid.ac/institutes/grid.182798.d", 
          "name": [
            "Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Gusakov", 
        "givenName": "E. A.", 
        "id": "sg:person.0620106643.50", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0620106643.50"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia", 
          "id": "http://www.grid.ac/institutes/grid.182798.d", 
          "name": [
            "Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Kolodina", 
        "givenName": "A. A.", 
        "id": "sg:person.01343512743.70", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01343512743.70"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia", 
          "id": "http://www.grid.ac/institutes/grid.182798.d", 
          "name": [
            "Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Dorogan", 
        "givenName": "I. V.", 
        "id": "sg:person.01030310031.06", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01030310031.06"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432, Chernogolovka, Moscow Region, Russia", 
          "id": "http://www.grid.ac/institutes/grid.418949.9", 
          "name": [
            "Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432, Chernogolovka, Moscow Region, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Shilov", 
        "givenName": "G. V.", 
        "id": "sg:person.012330400613.01", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012330400613.01"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432, Chernogolovka, Moscow Region, Russia", 
          "id": "http://www.grid.ac/institutes/grid.418949.9", 
          "name": [
            "Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432, Chernogolovka, Moscow Region, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Aldoshin", 
        "givenName": "S. M.", 
        "id": "sg:person.014353217357.41", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.014353217357.41"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia", 
          "id": "http://www.grid.ac/institutes/grid.182798.d", 
          "name": [
            "Southern Scientific Center, Russian Academy of Sciences, 344006, Rostov-on-Don, Russia", 
            "Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Minkin", 
        "givenName": "V. I.", 
        "id": "sg:person.07535265367.87", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.07535265367.87"
        ], 
        "type": "Person"
      }
    ], 
    "datePublished": "2018-01", 
    "datePublishedReg": "2018-01-01", 
    "description": "The structures of 5,7-di(tert-butyl)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)-3-hydroxytropone, 5,7-di(tert-butyl)-3-chloro-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone, 5,7-di(tert-butyl)- 3-(3,5-dimethylphenylamino)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone, and 3-(N-acetyl-3,5- dimethylphenylamino)-5,7-di(tert-butyl)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone were determined by X-ray diffraction. These compounds were synthesized through a series of transformations, including the nucleophilic substitution of the chlorine atom by piperidine in the starting 5,7-di(tert-butyl)-2-(4- chloroquinolin-2-yl)-3-hydroxytropone followed by the three-step functionalization of the 3-position in 3-hydroxytropone. The nature of dynamic processes in a solution of N-acetyl-3-arylaminotropone associated with the rotation of the N-acetyl group was revealed by the PCM/PBE0/6-31G(d,p) method.", 
    "genre": "article", 
    "id": "sg:pub.10.1134/s1063774518010200", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1295066", 
        "issn": [
          "1063-7745", 
          "1562-689X"
        ], 
        "name": "Crystallography Reports", 
        "publisher": "Pleiades Publishing", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "1", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "63"
      }
    ], 
    "keywords": [
      "three-step functionalization", 
      "X-ray diffraction", 
      "molecular structure", 
      "nucleophilic substitution", 
      "chlorine atoms", 
      "N-acetyl group", 
      "chloroquinolin-2", 
      "chloro-2", 
      "N-acetyl", 
      "functionalization", 
      "PBE0/6", 
      "series of transformations", 
      "butyl", 
      "piperidine", 
      "diffraction", 
      "compounds", 
      "synthesis", 
      "structure", 
      "atoms", 
      "substitution", 
      "dynamic process", 
      "solution", 
      "series", 
      "nature", 
      "transformation", 
      "process", 
      "method", 
      "group", 
      "rotation"
    ], 
    "name": "Synthesis and Molecular Structures of (3-Hydroxy, 3-Chloro, 3-Arylamino)-N-acetyl-3-arylaminotropones", 
    "pagination": "65-73", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1101320522"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1134/s1063774518010200"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1134/s1063774518010200", 
      "https://app.dimensions.ai/details/publication/pub.1101320522"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2022-10-01T06:44", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20221001/entities/gbq_results/article/article_776.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1134/s1063774518010200"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1134/s1063774518010200'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1134/s1063774518010200'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1134/s1063774518010200'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1134/s1063774518010200'


 

This table displays all metadata directly associated to this object as RDF triples.

142 TRIPLES      20 PREDICATES      54 URIs      46 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1134/s1063774518010200 schema:about anzsrc-for:03
2 anzsrc-for:0305
3 schema:author N19429d963d8448d2b8359090f39d1ac8
4 schema:datePublished 2018-01
5 schema:datePublishedReg 2018-01-01
6 schema:description The structures of 5,7-di(tert-butyl)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)-3-hydroxytropone, 5,7-di(tert-butyl)-3-chloro-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone, 5,7-di(tert-butyl)- 3-(3,5-dimethylphenylamino)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone, and 3-(N-acetyl-3,5- dimethylphenylamino)-5,7-di(tert-butyl)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone were determined by X-ray diffraction. These compounds were synthesized through a series of transformations, including the nucleophilic substitution of the chlorine atom by piperidine in the starting 5,7-di(tert-butyl)-2-(4- chloroquinolin-2-yl)-3-hydroxytropone followed by the three-step functionalization of the 3-position in 3-hydroxytropone. The nature of dynamic processes in a solution of N-acetyl-3-arylaminotropone associated with the rotation of the N-acetyl group was revealed by the PCM/PBE0/6-31G(d,p) method.
7 schema:genre article
8 schema:isAccessibleForFree false
9 schema:isPartOf N766bff46d97f4d77b0a33439b4f96a35
10 Nf6c5767486144b97ad3a3f5ae9251f60
11 sg:journal.1295066
12 schema:keywords N-acetyl
13 N-acetyl group
14 PBE0/6
15 X-ray diffraction
16 atoms
17 butyl
18 chlorine atoms
19 chloro-2
20 chloroquinolin-2
21 compounds
22 diffraction
23 dynamic process
24 functionalization
25 group
26 method
27 molecular structure
28 nature
29 nucleophilic substitution
30 piperidine
31 process
32 rotation
33 series
34 series of transformations
35 solution
36 structure
37 substitution
38 synthesis
39 three-step functionalization
40 transformation
41 schema:name Synthesis and Molecular Structures of (3-Hydroxy, 3-Chloro, 3-Arylamino)-N-acetyl-3-arylaminotropones
42 schema:pagination 65-73
43 schema:productId Na153942416774a089c81ac0539184f35
44 Nc9ea72769d76439d85a21a2ddf4fe56f
45 schema:sameAs https://app.dimensions.ai/details/publication/pub.1101320522
46 https://doi.org/10.1134/s1063774518010200
47 schema:sdDatePublished 2022-10-01T06:44
48 schema:sdLicense https://scigraph.springernature.com/explorer/license/
49 schema:sdPublisher Ndf6578ec59624a92a1abf8924408a3ff
50 schema:url https://doi.org/10.1134/s1063774518010200
51 sgo:license sg:explorer/license/
52 sgo:sdDataset articles
53 rdf:type schema:ScholarlyArticle
54 N19429d963d8448d2b8359090f39d1ac8 rdf:first sg:person.016125023417.42
55 rdf:rest N69d098c36b0a40eb9595398a120b55b0
56 N69d098c36b0a40eb9595398a120b55b0 rdf:first sg:person.015403724664.74
57 rdf:rest N8c187cc3b931422f92d8d3cdf3980e68
58 N766bff46d97f4d77b0a33439b4f96a35 schema:issueNumber 1
59 rdf:type schema:PublicationIssue
60 N8c187cc3b931422f92d8d3cdf3980e68 rdf:first sg:person.0620106643.50
61 rdf:rest Ncacd5c38a9964994a86b0e767be95e3d
62 N97dc1778fc0244f986d556896e5bc323 rdf:first sg:person.012330400613.01
63 rdf:rest Nba717bf0d464439f8034aa7b5ce95228
64 Na153942416774a089c81ac0539184f35 schema:name doi
65 schema:value 10.1134/s1063774518010200
66 rdf:type schema:PropertyValue
67 Nba717bf0d464439f8034aa7b5ce95228 rdf:first sg:person.014353217357.41
68 rdf:rest Nfc8092f246c44b35b1868bd37e8a13d0
69 Nc51b96b2620c4115bb191790304a14b1 rdf:first sg:person.01030310031.06
70 rdf:rest N97dc1778fc0244f986d556896e5bc323
71 Nc9ea72769d76439d85a21a2ddf4fe56f schema:name dimensions_id
72 schema:value pub.1101320522
73 rdf:type schema:PropertyValue
74 Ncacd5c38a9964994a86b0e767be95e3d rdf:first sg:person.01343512743.70
75 rdf:rest Nc51b96b2620c4115bb191790304a14b1
76 Ndf6578ec59624a92a1abf8924408a3ff schema:name Springer Nature - SN SciGraph project
77 rdf:type schema:Organization
78 Nf6c5767486144b97ad3a3f5ae9251f60 schema:volumeNumber 63
79 rdf:type schema:PublicationVolume
80 Nfc8092f246c44b35b1868bd37e8a13d0 rdf:first sg:person.07535265367.87
81 rdf:rest rdf:nil
82 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
83 schema:name Chemical Sciences
84 rdf:type schema:DefinedTerm
85 anzsrc-for:0305 schema:inDefinedTermSet anzsrc-for:
86 schema:name Organic Chemistry
87 rdf:type schema:DefinedTerm
88 sg:journal.1295066 schema:issn 1063-7745
89 1562-689X
90 schema:name Crystallography Reports
91 schema:publisher Pleiades Publishing
92 rdf:type schema:Periodical
93 sg:person.01030310031.06 schema:affiliation grid-institutes:grid.182798.d
94 schema:familyName Dorogan
95 schema:givenName I. V.
96 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01030310031.06
97 rdf:type schema:Person
98 sg:person.012330400613.01 schema:affiliation grid-institutes:grid.418949.9
99 schema:familyName Shilov
100 schema:givenName G. V.
101 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012330400613.01
102 rdf:type schema:Person
103 sg:person.01343512743.70 schema:affiliation grid-institutes:grid.182798.d
104 schema:familyName Kolodina
105 schema:givenName A. A.
106 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01343512743.70
107 rdf:type schema:Person
108 sg:person.014353217357.41 schema:affiliation grid-institutes:grid.418949.9
109 schema:familyName Aldoshin
110 schema:givenName S. M.
111 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.014353217357.41
112 rdf:type schema:Person
113 sg:person.015403724664.74 schema:affiliation grid-institutes:grid.465325.3
114 schema:familyName Sayapin
115 schema:givenName Yu. A.
116 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015403724664.74
117 rdf:type schema:Person
118 sg:person.016125023417.42 schema:affiliation grid-institutes:grid.418949.9
119 schema:familyName Tkachev
120 schema:givenName V. V.
121 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016125023417.42
122 rdf:type schema:Person
123 sg:person.0620106643.50 schema:affiliation grid-institutes:grid.182798.d
124 schema:familyName Gusakov
125 schema:givenName E. A.
126 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0620106643.50
127 rdf:type schema:Person
128 sg:person.07535265367.87 schema:affiliation grid-institutes:grid.182798.d
129 schema:familyName Minkin
130 schema:givenName V. I.
131 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.07535265367.87
132 rdf:type schema:Person
133 grid-institutes:grid.182798.d schema:alternateName Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia
134 schema:name Institute of Physical and Organic Chemistry, Southern Federal University, 344090, Rostov-on-Don, Russia
135 Southern Scientific Center, Russian Academy of Sciences, 344006, Rostov-on-Don, Russia
136 rdf:type schema:Organization
137 grid-institutes:grid.418949.9 schema:alternateName Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432, Chernogolovka, Moscow Region, Russia
138 schema:name Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432, Chernogolovka, Moscow Region, Russia
139 rdf:type schema:Organization
140 grid-institutes:grid.465325.3 schema:alternateName Southern Scientific Center, Russian Academy of Sciences, 344006, Rostov-on-Don, Russia
141 schema:name Southern Scientific Center, Russian Academy of Sciences, 344006, Rostov-on-Don, Russia
142 rdf:type schema:Organization
 




Preview window. Press ESC to close (or click here)


...