2-(Hydroxymethyl)-3-phenyl-2H-azirine - CAS 52124-00-2

Catalog:	BB027717
Product Name:	2-(Hydroxymethyl)-3-phenyl-2H-azirine
CAS:	52124-00-2
Synonyms:	(3-phenyl-2H-azirin-2-yl)methanol; (3-phenyl-2H-azirin-2-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(3-phenyl-2H-azirin-2-yl)methanol
Description:	2-(Hydroxymethyl)-3-phenyl-2H-azirine (CAS# 52124-00-2 ) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	C1=CC=C(C=C1)C2=NC2CO
InChI:	InChI=1S/C9H9NO/c11-6-8-9(10-8)7-4-2-1-3-5-7/h1-5,8,11H,6H2
InChI Key:	FERWRXQNBLZZPM-UHFFFAOYSA-N
Boiling Point:	273.9 °C at 760 mmHg
Density:	1.2 g/cm³
LogP:	0.28580

Publication Number	Title	Priority Date
DE-19908074-A1	Process for the preparation of stereoisomeric carboxylic acid esters	19990225
EP-1031629-A2	Method of preparation of stereoisomeric carboxylic acid esters	19990225
JP-2000245498-A	Method for producing stereoisomer carboxylic acid ester	19990225
US-6365398-B1	Process for preparation to stereoisomeric carboxylic acid esters	19990225
DE-19844876-A1	Process for the resolution of racemates of arylalkyl carboxylic acid esters	19980930

PMID	Publication Date	Title	Journal
15704972	20050218	Lipase-catalyzed resolution of (2R,3S)- and (2R,3R)-3-methyl-3-phenyl-2-aziridinemethanol at low temperatures and determination of the absolute configurations of the four stereoisomers	The Journal of organic chemistry

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Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9