1-Propanone,1-(3,4-dimethoxyphenyl)-2-methyl-

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Names

[ CAS No. ]:
14046-55-0

[ Name ]:
1-Propanone,1-(3,4-dimethoxyphenyl)-2-methyl-

[Synonym ]:
3',4'-Dimethoxyisobutyrophenone
3',4'-dimethoxy-2-methyl-propiophenone
3,4-dimethoxyphenyl isopropyl ketone
ISOBUTYROPHENONE,3',4'-DIMETHOXY
isobutyryl-3,4-dimethoxybenzene
Isobutyrophenone,4'-dimethoxy

Chemical & Physical Properties

[ Density]:
1.029g/cm3

[ Boiling Point ]:
304.8ºC at 760 mmHg

[ Molecular Formula ]:
C12H16O3

[ Molecular Weight ]:
208.25400

[ Flash Point ]:
129ºC

[ Exact Mass ]:
208.11000

[ PSA ]:
35.53000

[ LogP ]:
2.54250

[ Vapour Pressure ]:
0.000857mmHg at 25°C

[ Index of Refraction ]:
1.493

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ5610000
CHEMICAL NAME :
Isobutyrophenone, 3',4'-dimethoxy-
CAS REGISTRY NUMBER :
14046-55-0
BEILSTEIN REFERENCE NO. :
3263789
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H16-O3
MOLECULAR WEIGHT :
208.28
WISWESSER LINE NOTATION :
1Y1&VR CO1 DO1

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 :
420 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

Safety Information

[ HS Code ]:
2914509090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • BENZYL ALCOHOL, 3,4-DIMETHOXY-alpha-ISOPROPYL-
  • 1,2-Dimethoxybenzene
  • 2-Methylpropanoyl chloride
  • Bromo(isopropyl)magnesium
  • veratraldehyde
  • Isobutyric acid
  • Isobutyric acid anhydride
  • Veratric acid

DownStream

  • α,α-Dimethyl-3',4'-dimethoxypropiophenone
  • UNII:1Z42YUG42K
  • tert-Butyl(3,4-dihydroxyphenyl) ketone

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

  • 1-Propanone,2-amino-1-(3,4-dimethoxyphenyl)-2-methyl-
  • 1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
  • 1-Propanone, 1-(3, 4-dimethoxyphenyl)-3-(dimethylamino)-2-[(dimethylamino)methyl]-, dihydrobromide
  • 1-Propanone,1-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)-
  • 1-(3,4-Dimethoxyphenyl)-2-methyl-2-propanol
  • 1-(3,4-DIMETHOXYPHENYL)-3-[(2,3,4,5,6-PENTAMETHYLBENZYL)SULFANYL]-1-PROPANONE
  • (3-chlorophenyl)(4-(1-ethyl-1H-imidazol-2-yl)piperazin-1-yl)methanone hydrochloride
  • (2,6-difluorophenyl)(4-(1-ethyl-1H-imidazol-2-yl)piperazin-1-yl)methanone hydrochloride
  • Methyl 4-((4-(2-(hydroxymethyl)pyrrolidin-1-yl)piperidin-1-yl)sulfonyl)benzoate
  • 4-(2-(hydroxymethyl)pyrrolidin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide
  • (1-(1-((3-Fluorophenyl)sulfonyl)piperidin-4-yl)pyrrolidin-2-yl)methanol
  • (1-(1-Tosylpiperidin-4-yl)pyrrolidin-2-yl)methanol
  • (1-(1-((4-Chlorophenyl)sulfonyl)piperidin-4-yl)pyrrolidin-2-yl)methanol
  • (1-(1-((4'-Chloro-[1,1'-biphenyl]-3-yl)sulfonyl)piperidin-4-yl)pyrrolidin-2-yl)methanol
  • N-(3,4-dimethoxyphenethyl)-3-(pyridin-2-yloxy)benzamide
  • N-(2-chloro-5-(trifluoromethyl)phenyl)-3-(pyridin-2-yloxy)benzamide