4-benzyl-2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one

Names

[ CAS No. ]:
102689-16-7

[ Name ]:
4-benzyl-2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one

[Synonym ]:
3H-Pyrazol-3-one,2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)

Chemical & Physical Properties

[ Molecular Formula ]:
C23H26N2O2

[ Molecular Weight ]:
362.46500

[ Exact Mass ]:
362.19900

[ PSA ]:
41.90000

[ LogP ]:
3.42290

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0480000
CHEMICAL NAME :
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2 ,2-dimethyl-2H- pyran-4-yl)-
CAS REGISTRY NUMBER :
102689-16-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H26-N2-O2
MOLECULAR WEIGHT :
362.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>450 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: 19,470,1985

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (2,2-dimethyltetrahydro-2H-pyran-4-yl)hydrazine
  • Benzenepropanoic acid, b-oxo-a-(phenylmethyl)-, ethyl ester

DownStream

Related Compounds

  • O-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]hydroxylamine
  • 3-methyl-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]butanoic acid
  • 2-(5-Fluoropyridin-2-yl)cyclopropan-1-amine
  • 4-(4-Fluoro-2-methoxyphenyl)butan-2-amine
  • 2-Amino-3-(4-methylnaphthalen-1-yl)propanoic acid
  • (2S)-4-[3-(methylsulfanyl)phenyl]butan-2-amine
  • 2-Chloro-1-(5-phenylthiophen-2-yl)ethan-1-ol
  • 4-(5-Phenylthiophen-2-yl)butan-2-amine
  • 4-(1-Phenylcyclopropyl)butan-2-amine
  • 1-(1-Phenylcyclopropyl)ethane-1,2-diol
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