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

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine