2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-

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Names

[ CAS No. ]:
76691-09-3

[ Name ]:
2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-

Chemical & Physical Properties

[ Density]:
1.263g/cm3

[ Boiling Point ]:
482.9ºC at 760 mmHg

[ Molecular Formula ]:
C21H20F4N2O

[ Molecular Weight ]:
392.39000

[ Flash Point ]:
245.9ºC

[ Exact Mass ]:
392.15100

[ PSA ]:
23.55000

[ LogP ]:
4.75610

[ Index of Refraction ]:
1.546

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9936600
CHEMICAL NAME :
2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1 -piperazinyl)-
CAS REGISTRY NUMBER :
76691-09-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H20-F4-N2-O
MOLECULAR WEIGHT :
392.43

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
  • N-(3-Trifluoromethylphenyl)piperazine

DownStream

Related Compounds

  • 3,3-Difluoro-4-iodoindoline
  • 6-ethyl-2,7-dimethyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
  • N-tert-butyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
  • 2-Amino-5-(3-chloro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
  • 4-[(Prop-2-yn-1-yloxy)amino]pyridine-2-carboxylic acid
  • N-(2-methyl-2-(thiophen-3-yl)propyl)butyramide
  • N-(3-cyanophenyl)-2-((6-isobutyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)thio)acetamide
  • 2-(6-methyl-pyridin-2-yl)-3H-quinazolin-4-one
  • 5-Isopropoxy-7-(2-piperazin-1-ylethoxy)-3,4-dihydroquinazolin-4-one
  • 7-[2-(4-Acetylpiperazin-1-yl)ethoxy]-5-isopropoxy-3,4-dihydroquinazolin-4-one
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