4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(diethylamino)ethyl ester,hydrochloride

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Names

[ CAS No. ]:
87626-57-1

[ Name ]:
4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(diethylamino)ethyl ester,hydrochloride

[Synonym ]:
2-(N,N-diethylamino)-5-bromopyrimidine
2-(N,N-diethylamino)ethyl-4-oxo-2-phenyl-4H-1-benzopyran-8-acetate hydrochloride
5-BROMO-2-(DIETHYLAMINO)PYRIMIDINE

Chemical & Physical Properties

[ Boiling Point ]:
533ºC at 760mmHg

[ Molecular Formula ]:
C23H26ClNO4

[ Molecular Weight ]:
415.91000

[ Flash Point ]:
276.1ºC

[ Exact Mass ]:
415.15500

[ PSA ]:
59.75000

[ LogP ]:
4.68950

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2107000
CHEMICAL NAME :
4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
CAS REGISTRY NUMBER :
87626-57-1
LAST UPDATED :
198910
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H25-N-O4.Cl-H
MOLECULAR WEIGHT :
415.95

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
586 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: 20,393,1985

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 8-bromomethyl-2-phenyl-4H-1-benzopyran-4-one
  • 4-oxo-2-phenyl-4H-1-benzopyran-8-acetonitrile
  • mitoflaxone
  • 2-Chloro-N,N-diethylethanamine

DownStream

Related Compounds

  • (1-methyl-1H-indol-4-yl)methanesulfonyl chloride
  • 2-Chloro-6-methyl-4-(oxiran-2-yl)pyridine
  • 4-(2,4-Dimethoxypyridin-3-yl)butan-1-amine
  • 1-(4,6-Dimethoxypyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile
  • 3-Fluoro-3-methyl-1-nitrobut-1-ene
  • 5-(3-Chloro-5-fluorophenyl)-1,2-oxazol-4-amine
  • tert-butyl N-[2-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
  • 4,4-Dimethyl-3-methylidenehexan-1-amine
  • tert-butyl N-[3-cyano-1-(4-hydroxyphenyl)-4,5-dimethyl-1H-pyrrol-2-yl]carbamate
  • tert-butyl N-[2-(4-hydroxy-5-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]carbamate
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