(Z)-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one

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Names

[ CAS No. ]:
76691-08-2

[ Name ]:
(Z)-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one

Chemical & Physical Properties

[ Density]:
1.217g/cm3

[ Boiling Point ]:
481ºC at 760 mmHg

[ Molecular Formula ]:
C20H20F2N2O

[ Molecular Weight ]:
342.38200

[ Flash Point ]:
244.7ºC

[ Exact Mass ]:
342.15400

[ PSA ]:
23.55000

[ LogP ]:
3.87640

[ Index of Refraction ]:
1.578

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9935600
CHEMICAL NAME :
2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(4-fluorophenyl)-1-piperaziny l)-
CAS REGISTRY NUMBER :
76691-08-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H20-F2-N2-O
MOLECULAR WEIGHT :
342.42

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 :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 19,695,1980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-(3-fluorophenyl)butane-1,3-dione
  • 1-(4-Fluorophenyl)piperazine

DownStream

Related Compounds

  • 4-Amino-3,6-bis[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
  • 1-(5-chloro-1H-indol-2-yl)cyclobutane-1-carbonitrile
  • O-[2-(5-chloro-1H-indol-2-yl)-2-methylpropyl]hydroxylamine
  • 2-(5-Bromo-3-nitropyridin-2-yl)-2,2-difluoroethan-1-amine
  • 2-Methoxybut-3-yn-1-amine
  • (5S)-3-[(8S,13R)-8,13-Dihydroxy-13-[(2R,2a(2)R,5R,5a(2)R)-octahydro-5a(2)-[(1S)-1-hydroxyundecyl][2,2a(2)-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone
  • (T-4)-Bis[9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-(oxo-I masculineO)-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylato-I masculineO6]zinc
  • N-[(1S,2R,3E)-2-(Benzoyloxy)-1-[[(2,3,4,6-tetra-O-acetyl-I(2)-D-glucopyranosyl-13C6)oxy]methyl]-3-heptadecen-1-yl]-2,2,2-trifluoroacetamide
  • 5H-Pyrrolo[3,4-d]-1,2,4-triazolo[4,3-a]pyridine-7(8H)-carboxylic acid, 5a,6,8a,9-tetrahydro-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • 4-Methylisoquinolin-7-ol hydrobromide
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