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

Modify Date: 2024-01-08 19:21:05

2,5-dichloro-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one Structure
2,5-dichloro-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one structure
 Common Name 2,5-dichloro-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one
CAS Number 144970-11-6 Molecular Weight 347.19700
Density 1.41g/cm3 Boiling Point 487.6ºC at 760mmHg
Molecular Formula C13H16Cl2N4O3 Melting Point N/A
MSDS N/A Flash Point 248.7ºC

 Names

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

2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one structure

2,3,5-trichloro...

CAS#:126517-92-8

1-(1H-1,2,4-Triazol-5-yl)methanamine structure

1-(1H-1,2,4-Tri...

CAS#:58502-29-7

~79%

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

2,5-dichloro-4,...

CAS#:144970-11-6

Literature: Pharmaceutical Chemistry Journal, , vol. 26, # 4 p. 343 - 346 Khimiko-Farmatsevticheskii Zhurnal, , vol. 26, # 4 p. 55 - 57

 Precursor & DownStream

Precursor  2

DownStream  0

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Chemsrc provides CAS#:144970-11-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 2,5-dichloro-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one>> amp version: 2,5-dichloro-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one

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