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

  • 9-ethyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-9H-purine
  • Ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
  • 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-N-(propan-2-yl)propanamide
  • N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • 1-{2-cyclopropyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-4-(3-methoxyphenyl)piperazine
  • 4-[4-(2-Cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(methylsulfanyl)-6-(oxan-4-yl)pyrimidine
  • 9-ethyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-9H-purine
  • 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-9-ethyl-9H-purine
  • 9-ethyl-6-[4-(pyrimidin-4-yl)piperazin-1-yl]-9H-purine
  • 9-ethyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9H-purine
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