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

Modify Date: 2024-04-08 18:47:22

4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one Structure
4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one structure
 Common Name 4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one
CAS Number 102689-18-9 Molecular Weight 378.53000
Density N/A Boiling Point N/A
Molecular Formula C23H26N2OS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C23H26N2OS
Molecular Weight 378.53000
Exact Mass 378.17700
PSA 57.97000
LogP 4.13950

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0481000
CHEMICAL NAME :
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2 ,2-dimethyl-2H- thiopyran-4-yl)-
CAS REGISTRY NUMBER :
102689-18-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H26-N2-O-S
MOLECULAR WEIGHT :
378.57

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

4H-Thiopyran-4-one,tetrahydro-2,2-dimethyl- structure

4H-Thiopyran-4-...

CAS#:2323-13-9

~%

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

4-benzyl-2-(2,2...

CAS#:102689-18-9

Literature: Vartanyan, S. A.; Vartanyan, R. S.; Karamyan, S. A.; Avetyan, L. O.; Apoyan, N. A.; Melkonyan, Zh. S. Pharmaceutical Chemistry Journal, 1985 , vol. 19, # 7 p. 470 - 473 Khimiko-Farmatsevticheskii Zhurnal, 1985 , vol. 19, # 7 p. 821 - 825

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

3H-Pyrazol-3-one,2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)
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Chemsrc provides CAS#:102689-18-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one>> amp version: 4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one

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