ethyl (2E)-2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate

Names

[ CAS No. ]:
97181-05-0

[ Name ]:
ethyl (2E)-2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate

[Synonym ]:
Ethyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate
Acetic acid,(5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-,ethyl ester

Chemical & Physical Properties

[ Density]:
1.602g/cm3

[ Boiling Point ]:
473.3ºC at 760 mmHg

[ Molecular Formula ]:
C14H11BrO4

[ Molecular Weight ]:
323.13900

[ Flash Point ]:
240ºC

[ Exact Mass ]:
321.98400

[ PSA ]:
52.60000

[ LogP ]:
2.83630

[ Index of Refraction ]:
1.653

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF6360000
CHEMICAL NAME :
Acetic acid, (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester
CAS REGISTRY NUMBER :
97181-05-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H11-Br-O4
MOLECULAR WEIGHT :
323.16

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 :
>600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 25,891,1991

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl 2-(triphenylphosphoranylidene)acetate
  • 5-(4-bromophenyl)furan-2,3-dione

DownStream

Related Compounds

  • [2-(1H-imidazol-4-yl)cyclopropyl]methanol hydrochloride
  • 2-(((1r,4r)-4-Hydroxycyclohexyl)amino)-1-(pyrazin-2-yl)ethanone
  • 3-({Bicyclo[2.2.1]heptan-2-yl}methyl)piperidine
  • 2-(3-Bromo-2,2-dimethylpropyl)bicyclo[2.2.1]heptane
  • (1r,4r)-4-(((2-Bromopyridin-4-yl)methyl)amino)cyclohexanol
  • 1-(Bicyclo[2.2.1]hept-2-ylmethyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
  • (1r,4r)-4-(((2-Chloropyrimidin-4-yl)methyl)amino)cyclohexanol
  • 3-(bromomethyl)-N-((1r,4r)-4-hydroxycyclohexyl)benzenesulfonamide
  • (3E,4S)-3-[2-[(4aR,6aS,7R,10aS,10bR)-Decahydro-6a,10b-dimethyl-8-methylene-3-(3-nitrophenyl)-1H-naphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]dihydro-4-hydroxy-2(3H)-furanone
  • Methyl 2-fluoro-7-oxabicyclo[2.2.1]heptane-2-carboxylate
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