1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone

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Names

[ CAS No. ]:
67239-25-2

[ Name ]:
1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone

[Synonym ]:
3',4'-Dihydroxyisovalerophenone
ISOVALEROPHENONE,3',4'-DIHYDROXY
Isovalerophenone,4'-dihydroxy

Chemical & Physical Properties

[ Density]:
1.158

[ Boiling Point ]:
381ºC at 760 mmHg

[ Molecular Formula ]:
C11H14O3

[ Molecular Weight ]:
194.22700

[ Flash Point ]:
198.4ºC

[ Exact Mass ]:
194.09400

[ PSA ]:
57.53000

[ LogP ]:
2.32660

[ Index of Refraction ]:
1.555

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1800000
CHEMICAL NAME :
Isovalerophenone, 3',4'-dihydroxy-
CAS REGISTRY NUMBER :
67239-25-2
BEILSTEIN REFERENCE NO. :
3255844
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O3
MOLECULAR WEIGHT :
194.25
WISWESSER LINE NOTATION :
QR BQ DV1Y1&1

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 :
650 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,178,1964

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,2-Benzenediol
  • 3-Methylbutanoyl chloride

DownStream

Related Compounds

  • 2-Amino-1-[3,4-dihydro-2(1H)-isoquinolinyl]-3-methyl-1-butanone hydrochloride
  • 1-(3-Hydroxy-4-methoxyphenyl)-3-methyl-1-butanone
  • 1-Butanone,1-(3-ethyl-2,4-dihydroxyphenyl)-3-methyl-(9CI)
  • (S)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol
  • (R)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol
  • 2-amino-1-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-methyl-1-butanone hydrochloride
  • 2-{[(Benzyloxy)carbonyl]amino}-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
  • Tert-butyl 3-(3-aminocyclohexyl)propanoate
  • 3-(3-{[(Benzyloxy)carbonyl]amino}cyclohexyl)propanoic acid
  • methyl (3S)-5-amino-3-hydroxypentanoate
  • 5-(3-{[(Benzyloxy)carbonyl]amino}propyl)-2-methylfuran-3-carboxylic acid
  • 1-[(Benzyloxy)carbonyl]-2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
  • 2-(3,3-dimethylbutyl)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid
  • 2-(1-{[(Benzyloxy)carbonyl]amino}cyclopropyl)pyrimidine-4-carboxylic acid
  • rac-(2R,5S)-1-[(tert-butoxy)carbonyl]-5-cyclohexylpiperidine-2-carboxylic acid
  • rac-(2R,5S)-1-[(benzyloxy)carbonyl]-5-cyclohexylpiperidine-2-carboxylic acid
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