4-benzyl-5-phenyl-2-(1,2,5-trimethyl-4-piperidyl)-4H-pyrazol-3-one

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Names

[ CAS No. ]:
102689-20-3

[ Name ]:
4-benzyl-5-phenyl-2-(1,2,5-trimethyl-4-piperidyl)-4H-pyrazol-3-one

[Synonym ]:
2,4-Dihydro-5-phenyl-4-(phenylmethyl)-2-(1,2,5-trimethyl-4-piperidinyl)-3H-pyrazol-3-one
3H-Pyrazol-3-one,2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(1,2,5-trimethyl-4-piperidinyl)

Chemical & Physical Properties

[ Density]:
1.15g/cm3

[ Boiling Point ]:
490.4ºC at 760mmHg

[ Molecular Formula ]:
C24H29N3O

[ Molecular Weight ]:
375.50700

[ Flash Point ]:
250.4ºC

[ Exact Mass ]:
375.23100

[ PSA ]:
35.91000

[ LogP ]:
3.13190

[ Vapour Pressure ]:
9.21E-10mmHg at 25°C

[ Index of Refraction ]:
1.618

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0482000
CHEMICAL NAME :
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(1,2,5-trimet hyl-4-piperidinyl)-
CAS REGISTRY NUMBER :
102689-20-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H29-N3-O
MOLECULAR WEIGHT :
375.56

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

Precursor & DownStream

Precursor

  • 4-Piperidinone, 1,2,5-triMethyl-
  • 1-Acetyl-2-(1,2,5-trimethyl-4-piperidyl)hydrazine

DownStream


Related Compounds

  • 3,6-Dimethyl-2-fluorophenylacetic acid
  • 2-(2-Chloro-3-fluoro-6-methoxyphenyl)acetaldehyde
  • 1-(2-Chloro-3-fluoro-6-methoxyphenyl)ethan-1-one
  • 4-Chloro-2-ethoxy-5-fluorobenzaldehyde
  • 1-(4-Bromo-3-methylphenyl)cyclopropan-1-amine
  • 2,6-Dimethyl-3-fluorophenylacetic acid
  • 2-Chloro-3-fluoro-6-methoxybenzene-1-carboximidamide
  • 2-Amino-2-(5-chloro-6-methoxypyridin-3-yl)ethan-1-ol
  • 1-(4-Bromofuran-2-yl)propan-2-one
  • 3-(3-Fluoro-4-isopropoxyphenyl)-propionic acid
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