5-[2-(difluoromethoxy)phenyl]-3-methyl-7-oxo-8-oxa-2-azabicyclo[4.3.0] nona-1,3,5-triene-4-carbonitrile

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Names

[ CAS No. ]:
126335-09-9

[ Name ]:
5-[2-(difluoromethoxy)phenyl]-3-methyl-7-oxo-8-oxa-2-azabicyclo[4.3.0] nona-1,3,5-triene-4-carbonitrile

Chemical & Physical Properties

[ Density]:
1.45g/cm3

[ Boiling Point ]:
491.8ºC at 760mmHg

[ Molecular Formula ]:
C16H10F2N2O3

[ Molecular Weight ]:
316.25900

[ Flash Point ]:
251.2ºC

[ Exact Mass ]:
316.06600

[ PSA ]:
72.21000

[ LogP ]:
3.20048

[ Vapour Pressure ]:
8.15E-10mmHg at 25°C

[ Index of Refraction ]:
1.595

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LV2627000
CHEMICAL NAME :
Furo(3,4-b)pyridine-3-carbonitrile, 5,7-dihydro-4-(2-(difluoromethoxy)phenyl)-2-methyl-5- oxo-
CAS REGISTRY NUMBER :
126335-09-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H10-F2-N2-O3
MOLECULAR WEIGHT :
316.28

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 :
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: 23,893,1989

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • methyl 5-cyano-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

DownStream

Related Compounds

  • CID 41334220
  • 8-(2-((2-ethoxyphenyl)amino)ethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 8-(2-((3-chloro-4-methylphenyl)amino)ethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 8-(2-((4-bromophenyl)amino)ethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 8-(2-((2,5-dimethoxyphenyl)amino)ethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 8-(2-((3-chlorophenyl)amino)ethyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 2,4,7-Trimethyl-6-[2-(2-methylanilino)ethyl]purino[7,8-a]imidazole-1,3-dione
  • 8-(2-((4-butylphenyl)amino)ethyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 8-(2-((2-chlorophenyl)amino)ethyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 8-(2-((5-chloro-2-methylphenyl)amino)ethyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
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