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

Modify Date: 2024-02-25 14:04:08

2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one Structure
2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one structure
Common Name 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one
CAS Number 102689-15-6 Molecular Weight 272.34200
Density 1.19g/cm3 Boiling Point 432.4ºC at 760 mmHg
Molecular Formula C16H20N2O2 Melting Point N/A
MSDS N/A Flash Point 215.3ºC

 Names

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

 Chemical & Physical Properties

Density 1.19g/cm3
Boiling Point 432.4ºC at 760 mmHg
Molecular Formula C16H20N2O2
Molecular Weight 272.34200
Flash Point 215.3ºC
Exact Mass 272.15200
PSA 41.90000
LogP 1.95410
Vapour Pressure 1.11E-07mmHg at 25°C
Index of Refraction 1.601

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0483000
CHEMICAL NAME :
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-py ran-4-yl)-
CAS REGISTRY NUMBER :
102689-15-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H20-N2-O2
MOLECULAR WEIGHT :
272.38

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

~75%

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

2-(2,2-dimethyl...

CAS#:102689-15-6

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
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