The unsubstituted ortho-amidino benzoic acid: crystal structure, characterization and pKa determination View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2017-06

AUTHORS

Olga V. Hordiyenko, Angelina V. Biitseva, Yuliya Yu. Kostina, Roman I. Zubatyuk, Oleg V. Shishkin, Ulrich M. Groth, Mikhail Yu. Kornilov

ABSTRACT

The simplest o-amidino benzoic acid—2-(amino(imino)methyl)benzoic acid—has been isolated in 23 % yield as a side product of the reaction of phthalonitrile and ammonia along with desired 1-imino-1H-isoindol-3-amine. This amidino acid was fully characterized by nuclear magnetic resonance, IR spectroscopy, mass spectrometry; pKa values were also determined. X-ray diffraction study and quantum chemical calculations revealed that in the solid state it exists as a zwitterion that is stabilized by intermolecular hydrogen bonds. More... »

PAGES

607-616

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s11224-016-0822-x

DOI

http://dx.doi.org/10.1007/s11224-016-0822-x

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https://app.dimensions.ai/details/publication/pub.1023986626


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