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

  • Fmoc-L-Thr(tBu)-MPPA
  • (R)-Ethyl 2-(4-(1-aminoethyl)phenyl)acetate
  • 1-(3,4-Dihydroxybenzyl)-1H-indole-5,6-diol
  • (4-(Trifluoromethyl)-1H-pyrrol-2-yl)boronic acid
  • 1,5-Bis(3,4-dihydroxyphenyl)pentane-1,4-dione
  • Thalidomide-C6-Br
  • 5-Bromo-4-chloropyridin-3-amine hydrochloride
  • (1R)-1-(9H-fluoren-9-yl)-2,2,2-trifluoroethan-1-ol
  • tert-Butyl (tert-butoxycarbonyl)(1-formylcyclobutyl)carbamate
  • methyl 1,5-dimethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-carboxylate
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