2,5-dichloro-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one

Names

[ CAS No. ]:
144970-11-6

[ Name ]:
2,5-dichloro-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one

Chemical & Physical Properties

[ Density]:
1.41g/cm3

[ Boiling Point ]:
487.6ºC at 760mmHg

[ Molecular Formula ]:
C13H16Cl2N4O3

[ Molecular Weight ]:
347.19700

[ Flash Point ]:
248.7ºC

[ Exact Mass ]:
346.06000

[ PSA ]:
89.13000

[ LogP ]:
1.86110

[ Vapour Pressure ]:
1.17E-09mmHg at 25°C

[ Index of Refraction ]:
1.574

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GY7191000
CHEMICAL NAME :
2-Cyclopenten-1-one, 2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)-3-((1H-1,2, 4-triazol-3- ylmethyl)amino)-
CAS REGISTRY NUMBER :
144970-11-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H16-Cl2-N4-O3
MOLECULAR WEIGHT :
347.23

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 :
280 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: 26,343,1992

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one
  • 1-(1H-1,2,4-Triazol-5-yl)methanamine

DownStream

Related Compounds

  • Methyl 5-bromo-2-hydrazinylnicotinate
  • Methyl 2-amino-3-(5-fluoro-2-(trifluoromethyl)phenyl)propanoate
  • 1-Bromo-3-(2-fluoro-4-mercaptophenyl)propan-2-one
  • 2-((tert-Butoxycarbonyl)amino)-3-(5-fluoro-2-(trifluoromethyl)phenyl)propanoic acid
  • (4-Chloro-3-(trifluoromethyl)phenyl)(phenyl)methanamine
  • 2-Methyl-1-[6-(trifluoromethyl)pyridin-3-yl]propan-1-amine
  • (S)-3-(3-(3-fluorophenyl)propanoyl)-4-isopropyloxazolidin-2-one
  • (S)-4-benzyl-3-(2-cyclohexylacetyl)oxazolidin-2-one
  • tert-Butyl 2-bromo-4-fluorobenzyl(ethyl)carbamate
  • tert-Butyl 2-bromo-4-fluorobenzyl(isopropyl)carbamate
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