3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropan-1-one

Names

[ CAS No. ]:
96863-70-6

[ Name ]:
3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropan-1-one

Chemical & Physical Properties

[ Density]:
1.121g/cm3

[ Boiling Point ]:
445.7ºC at 760mmHg

[ Molecular Formula ]:
C18H20O3

[ Molecular Weight ]:
284.35000

[ Flash Point ]:
159.5ºC

[ Exact Mass ]:
284.14100

[ PSA ]:
46.53000

[ LogP ]:
3.63770

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UC1996000
CHEMICAL NAME :
1-Propanone, 2,2-dimethyl-3-hydroxy-3-(4-methoxyphenyl)-1-phenyl-
CAS REGISTRY NUMBER :
96863-70-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H20-O3
MOLECULAR WEIGHT :
284.38

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/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: 19,41,1985

Safety Information

[ HS Code ]:
2914509090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Methoxybenzaldehyde
  • Isobutyrophenone
  • α-Bromoisobutyrophenone

DownStream

Customs

[ HS Code ]: 2914509090

[ Summary ]:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • 2-[(1-{5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)methoxy]-3-methylpyrazine
  • 2,4-Dimethyl-7-(4-{[(3-methylpyrazin-2-yl)oxy]methyl}piperidin-1-yl)-1,8-naphthyridine
  • 2-(4-Methanesulfonyl-1,4-diazepan-1-yl)-5-methoxy-1,3-benzothiazole
  • 4,6-Difluoro-2-(4-methanesulfonyl-1,4-diazepan-1-yl)-1,3-benzothiazole
  • N-(2-chlorophenyl)-3-[(2-cyanopyridin-4-yl)oxy]azetidine-1-carboxamide
  • 3-[(2-cyanopyridin-4-yl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
  • 1-(Cyclopropanesulfonyl)-4-[(3,5-dimethoxyphenyl)methyl]piperazine
  • 2-{[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]methyl}prop-2-enoic acid
  • N-[(4-methoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
  • 1-[(4-Fluorophenyl)methyl]-4-{[1,3]thiazolo[4,5-c]pyridin-2-yl}piperazin-2-one
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