3-(6-benzoyl-2-oxo-benzooxazol-3-yl)propanoic acid

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Names

[ CAS No. ]:
76752-01-7

[ Name ]:
3-(6-benzoyl-2-oxo-benzooxazol-3-yl)propanoic acid

[Synonym ]:
6-Benzoyl-2-oxo-3-benzoxazolinepropionic acid
JPB 52
3-BENZOXAZOLINEPROPIONIC ACID,6-BENZOYL-2-OXO

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
549.7ºC at 760 mmHg

[ Molecular Formula ]:
C17H13NO5

[ Molecular Weight ]:
311.28900

[ Flash Point ]:
286.2ºC

[ Exact Mass ]:
311.07900

[ PSA ]:
89.51000

[ LogP ]:
2.30020

[ Index of Refraction ]:
1.631

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM4895200
CHEMICAL NAME :
3-Benzoxazolinepropionic acid, 6-benzoyl-2-oxo-
CAS REGISTRY NUMBER :
76752-01-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H13-N-O5
MOLECULAR WEIGHT :
311.31
WISWESSER LINE NOTATION :
T56 BNVOJ B2VQ GVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2560 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,453,1980

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 6-benzoylbenzoxazol-2(3H)-one
  • 3-Chloropropionic Acid

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 3-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)propanoic acid
  • 3-(5-METHYL-2-OXO-BENZOOXAZOL-3-YL)-PROPIONIC ACID
  • 3-(6-nitro-2-oxo-benzooxazol-3-yl)-propionitrile
  • 3-(6-chloro-2-oxo-benzooxazol-3-yl)-propionitrile
  • 3-(6-methyl-2-oxo-1,4-benzoxazin-3-yl)propanoic acid
  • 3-(6-oxo-3,5-diphenylpyridazin-1-yl)propanoic acid
  • tert-butyl N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-4-hydroxycyclohexyl]carbamate
  • 3-[(Cyclobutylmethyl)(methyl)amino]-4-methylcyclohexan-1-one
  • Methyl 5-chloroimidazo[2,1-b][1,3]thiazole-6-carboxylate
  • 5-Chloro-4,6-dimethyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
  • 2-Propylimidazo[1,2-a]pyridine-3-sulfonyl chloride
  • 2-Butyl-5-methylimidazo[1,2-a]pyridine-3-sulfonyl chloride
  • methyl 2-amino-3-(3-cyclopropyl-1H-1,2,4-triazol-1-yl)butanoate
  • [3-methyl-1-(pyridazin-3-yl)-1H-pyrazol-4-yl]methanamine
  • 1-[3-(Aminomethyl)cyclopentyl]propan-2-one
  • (2R)-2-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-methoxyphenyl]formamido}propanoic acid
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