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

  • 1-(3-aminophenyl)-2-(4-methanesulfonyl-1H-pyrazol-1-yl)ethan-1-ol
  • {2-[(4-methanesulfonyl-1H-pyrazol-1-yl)methyl]phenyl}methanamine
  • (3-bromo-5-fluoropyridin-4-yl)(1H-pyrazol-4-yl)methanol
  • 1-(2-ethoxy-2-methylpropyl)-1H-1,2,3-triazol-4-amine
  • Ethyl 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)acetate
  • [5-(2,4-Difluorophenyl)-1,2-oxazol-3-yl]methanethiol
  • 6-Chloro-2-({[2-(trimethylsilyl)ethyl]sulfanyl}methyl)imidazo[1,2-a]pyridine
  • 1-(4-ethylcyclohexyl)-1H-imidazol-4-amine
  • 3-[2-(3-amino-1H-pyrazol-1-yl)ethoxy]propanenitrile
  • 1-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1H-imidazol-4-amine
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