2',6'-Dimethoxyacetophenone

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Names

[ CAS No. ]:
2040-04-2

[ Name ]:
2',6'-Dimethoxyacetophenone

[Synonym ]:
USAF K-2801
Acetophenone,2',6'-dimethoxy
2',6'-Dimethoxyacetophenone
1-(2,6-Dimethoxyphenyl)ethanone
2′,6′-Dimethoxyacetophenone
2,6-methoxyacetophenone
MFCD00008729
Ethanone, 1-(2,6-dimethoxyphenyl)-
2,6-Dimethoxyacetophenone
2‘,6‘-Dimethoxyacetophenone
EINECS 218-034-1

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
313.7±0.0 °C at 760 mmHg

[ Melting Point ]:
68-70 °C(lit.)

[ Molecular Formula ]:
C₁₀H₁₂O₃

[ Molecular Weight ]:
180.201

[ Flash Point ]:
111.3±8.2 °C

[ Exact Mass ]:
180.078644

[ PSA ]:
35.53000

[ LogP ]:
1.98

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.499

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM8400000

CHEMICAL NAME :: Acetophenone, 2',6'-dimethoxy-

CAS REGISTRY NUMBER :: 2040-04-2

BEILSTEIN REFERENCE NO. :: 2048976

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H12-O3

MOLECULAR WEIGHT :: 180.22

WISWESSER LINE NOTATION :: 1VR BO1 FO1

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 :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AM8400000

[ Packaging Group ]:
II; III

[ HS Code ]:
2914509090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2,6-Dihydroxyacetophenone
methyl iodide
2,6-Dimethoxybenzoic acid
Acetonitrile
Acetyl chloride
Dimethyl sulfate
2-Ethynyl-1,3-dimethoxybenzene
Ethanoic anhydride

DownStream

5-Hydroxyflavone
2,6-Dihydroxyacetophenone
1-(2-Hydroxy-6-methoxyphenyl)ethanone
methyl 2-[2-(2,6-dimethoxyphenyl)ethynyl]benzoate
2-Ethynyl-1,3-dimethoxybenzene
4-Fluororesorcinol
5-METHYLBENZO[B]THIOPHENE-2-METHANOL
ethyl 3-(2,6-dimethoxyphenyl)-3-oxopropanoate
2,6-Dimethoxybenzoic acid
3-chloro-2,6-dimethoxybenzoic acid

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%

Articles

Inhibitors of hepatic mixed function oxidases. I. The metabolism of 2,6-dihydroxy-,2-hydroxy-6-methoxy- and 2,6-dimethoxyacetophenones.

Xenobiotica 5(2) , 65-72, (1975)

1. 2,6-Dihydroxyacetophenone, its mono- and di-methyl ethers are inhibitors of hepatic mixed function oxidases. The dimethyl ether is a competitive inhibitor of aminopyrine demethylase with the others...

Facile preparations of 4-fluororesorcinol. Bélanger PC, et al.

Can. J. Chem. 66(6) , 1479-82, (1988)

2-bromo-2',6'-dimethoxyacetophenone
2',6'-dibenzoyloxyacetophenone
2',6',4-trihydroxy-4'-methoxychalcone
2',6'-Dihydroxy-4,4'-dimethoxychalcone
2',6'-DIFLUORO-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID
2',6'-dinitrobiphenyl-2-ol
Methyl 3-(3-hydroxy-1,1-dioxo-1lambda6-thiolan-3-yl)azetidine-3-carboxylate
7-amino-1-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
7-{[(tert-butoxy)carbonyl]amino}-1-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
9H-fluoren-9-ylmethyl 3-(azetidin-3-yl)piperidine-1-carboxylate
3-formyl-1-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid
tert-Butyl 3-(5-(hydroxymethyl)thiazol-2-yl)azetidine-1-carboxylate
9H-fluoren-9-ylmethyl N-{[4-(2-aminopropan-2-yl)phenyl]methyl}carbamate
1-(3-methylbutan-2-yl)-5-propyl-1H-1,2,3-triazole-4-carboxylic acid
(3S)-3-methyl-1-phenylpiperazinedihydrochloride
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)methyl]cyclopropane-1-carbaldehyde

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