2-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-cyclohexanedione

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Names

[ CAS No. ]:
39992-64-8

[ Name ]:
2-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-cyclohexanedione

[Synonym ]:
2-p-Methoxyphenacylcyclohexane-1,3-dione
1,3-Cyclohexanedione,2-p-methoxyphenacyl
1,3-Cyclohexanedione,2-(2-(4-methoxyphenyl)-2-oxoethyl)

Chemical & Physical Properties

[ Density]:
1.18g/cm3

[ Boiling Point ]:
468ºC at 760 mmHg

[ Molecular Formula ]:
C15H16O4

[ Molecular Weight ]:
260.28500

[ Flash Point ]:
210.2ºC

[ Exact Mass ]:
260.10500

[ PSA ]:
60.44000

[ LogP ]:
2.20630

[ Index of Refraction ]:
1.537

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GV0745000
CHEMICAL NAME :
1,3-Cyclohexanedione, 2-p-methoxyphenacyl-
CAS REGISTRY NUMBER :
39992-64-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H16-O4
MOLECULAR WEIGHT :
260.31

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
21 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: 14,794,1980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,3-Cyclohexanedione
  • PTP inhibitor 1

DownStream

  • 1,5,6,7-Tetrahydro-1-isopropyl-2-(p-methoxyphenyl)-4H-indol-4-one

Related Compounds

  • Propanoic acid, 2-methyl-3-[[(tetrahydro-2H-thiopyran-2-yl)methyl]amino]-, methyl ester
  • 2-Methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
  • 3-iso-Butoxy-4-methoxybenzoyl chloride
  • 4-Piperidin-1-ylbenzoyl chloride
  • Methyl 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-2-[(methylsulfonyl)oxy]butanoate
  • 3-Bromo-N-isobutyl-5-(trifluoromethyl)pyridin-2-amine
  • 3-Bromo-N,N-diethyl-5-(trifluoromethyl)pyridin-2-amine
  • 3-(6-chloro-1H-indol-3-yl)prop-2-en-1-ol
  • (R)-2-(Tert-butoxycarbonylamino-methyl)-3-(3-fluoro-phenyl)-propionic acid
  • [4-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
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