4-Phenyloxazolidin-2-one - CAS 7480-32-2

Catalog:	BB035163
Product Name:	4-Phenyloxazolidin-2-one
CAS:	7480-32-2
Synonyms:	4-phenyl-2-oxazolidinone; 4-phenyl-1,3-oxazolidin-2-one

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Computed Properties

IUPAC Name:	4-phenyl-1,3-oxazolidin-2-one
Description:	4-Phenyloxazolidin-2-one (CAS# 7480-32-2) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	C1C(NC(=O)O1)C2=CC=CC=C2
InChI:	InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChI Key:	QDMNNMIOWVJVLY-UHFFFAOYSA-N
Boiling Point:	407 °C at 760 mmHg
Density:	1.195 g/cm³
LogP:	1.79630

Publication Number	Title	Priority Date
CN-111943848-A	Preparation method and application of elexacator intermediate	20200819
WO-2021030335-A1	A stereoisomerically pure nk-3 receptor antagonist and crystalline forms thereof	20190812
US-2021094918-A1	Process for the preparation of (s)-netarsudil,its salts and polymorphs	20190629
WO-2021001713-A1	Process for the preparation of (s)-netarsudil, its salts & polymorphs	20190629
US-2020369656-A1	Inhibitors of camkk2 and uses of same	20190524

PMID	Publication Date	Title	Journal
21851070	20110914	Stereoselectivities and regioselectivities of (4 + 3) cycloadditions between allenamide-derived chiral oxazolidinone-stabilized oxyallyls and furans: experiment and theory	Journal of the American Chemical Society
16442841	20060601	Vibrational spectra and molecular structure of chiral and racemic 4-phenyl-1,3-oxazolidin-2-one by density functional theory and ab initio Hartree-Fock calculations	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
15255725	20040723	Virtually complete control of simple and face diastereoselectivity in the Michael addition reactions between achiral equivalents of a nucleophilic glycine and (S)- or (R)-3-(E-enoyl)-4-phenyl-1,3-oxazolidin-2-ones: practical method for preparation of beta-substituted pyroglutamic acids and prolines	The Journal of organic chemistry

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Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.06332853
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.06332853
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2