3',4'-Dimethoxyacetophenone

Base Information

• Chemical Name: 3',4'-Dimethoxyacetophenone
• CAS No.: 1131-62-0
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29145000
• European Community (EC) Number: 214-468-0
• NSC Number: 18708,16944
• UNII: 5RV6436S8A
• DSSTox Substance ID: DTXSID4061549
• Nikkaji Number: J12.495H
• Wikidata: Q222993
• Metabolomics Workbench ID: 67634
• ChEMBL ID: CHEMBL4218890
• Mol file: 1131-62-0.mol

Synonyms:1131-62-0;3',4'-Dimethoxyacetophenone;1-(3,4-Dimethoxyphenyl)ethanone;Acetoveratrone;3,4-DIMETHOXYACETOPHENONE;Ethanone, 1-(3,4-dimethoxyphenyl)-;3,4-Dimethoxyphenyl methyl ketone;1-(3,4-Dimethoxyphenyl)ethan-1-one;Acetophenone, 3',4'-dimethoxy-;4-Acetylveratrole;MFCD00008737;NSC 18708;UNII-5RV6436S8A;5RV6436S8A;EINECS 214-468-0;NSC 16944;NSC-16944;NSC-18708;AI3-11163;Acetophenone,4'-dimethoxy-;Ethanone,4-dimethoxyphenyl)-;3,4-dimethoxyphenylacetal;bmse010033;3, 4-dimethoxyacetophenone;3,4-dimethoxy acetophenone;SCHEMBL76834;3',4'-dimethyoxyacetophenone;3,'-4'-Dimethoxyacetophenone;CHEMBL4218890;DTXSID4061549;CHEBI:86576;1-(3,4-dimethoxyphenyl)-ethanon;1-(3,4-dimethoxyphenyl)-ethanone;NSC16944;NSC18708;STR01828;3?,4?-DIMETHOXYACETOPHENONE;1-(3,4-Dimethoxy-phenyl)-ethanone;1-(3,4-Dimethoxyphenyl)ethanone #;3',4'-Dimethoxyacetophenone, 98%;AC7907;STK399977;1-(3,4-dimethoxyphenyl)-1-ethanone;ACETOPHENONE, 3,4-DIMETHOXY-;AKOS000120461;AM10708;CS-W005151;GF-0115;3',4'-Dimethoxyacetophenone, >=98%;1-(4,5-DIMETHOXYPHENYL)ETHANONE;AC-15467;SY015105;D1878;FT-0614336;EN300-16176;3',4'-Dimethoxyacetophenone, analytical standard;4'-Hydroxy-3'-methoxyacetophenone, methyl ether;A802955;AQ-917/40710349;Q222993;W-108624;3',4'-Dimethoxyacetophenone, purum, >=97.0% (GC);Z54182939;F0191-0032;3 inverted exclamation mark ,4 inverted exclamation mark -Dimethoxyacetophenone

Chemical Property of 3',4'-Dimethoxyacetophenone

Chemical Property:

• Appearance/Colour: near white crystal powder
• Melting Point: 47-54 °C(lit.)
• Refractive Index: 1.5224 (estimate)
• Boiling Point: 287 °C at 760 mmHg
• Flash Point: 113.4 °C
• PSA: 35.53000
• Density: 1.066 g/cm³
• LogP: 1.90640
• Storage Temp.: Store below +30°C.
• Solubility.: hot water: soluble
• Water Solubility.: SOLUBLE IN HOT WATER
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

3,’-4’-Dimethoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OC)OC
• Uses: 3',4'-Dimethoxyacetophenone is used as Catalytic agent; Petrochemical additive. It is also used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of 3',4'-Dimethoxyacetophenone

There total 149 articles about 3',4'-Dimethoxyacetophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-(3,5-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)ethan-1-ol → 3,5-dimethoxyphenol (500-99-2) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0)

Guidance literature:

With C₆₀H₃₆N₂; sodium salt of dibutyl phosphate; Methyl thioglycolate; In dimethyl sulfoxide; at 25 ℃; for 24h; Irradiation; Sealed tube;

DOI:10.1039/c9cc06904f

Reference yield: 84.0%

1-(3,4-dihydroxyphenyl)ethan-1-one (1197-09-7) + methyl iodide (74-88-4) → 3-hydroxy-4-methoxyacetophenone (6100-74-9) + 1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0)

Guidance literature:

With lithium carbonate; In N,N-dimethyl-formamide; at 55 ℃; for 18h; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.03.016

Reference yield: 43.0%

S-(2-(3,4-dimethoxyphenyl)-2-oxoethyl) O-ethyl carbonodithioate (1334498-58-6) → bis-ethoxythiocarbonyldisulfane (502-55-6) + SK 31597 (4650-71-9) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0)

Guidance literature:

In acetonitrile; for 15h; Irradiation; Inert atmosphere;

DOI:10.1021/jo201385b

upstream raw materials:

Ketene

1,2-dimethoxybenzene

4-isopropenyl-1,2-dimethoxybenzene

2-(3,4-dimethoxyphenyl)propanoic acid

Downstream raw materials:

N-<3,4-dimethoxyphenyl(thioacetyl)>morpholine

1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one

(E)-3-(2-bromophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one

(E)-1-(3,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

Refernces

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• 5、 Rautiainen, Sari,Di Francesco, Davide,Katea, Sarmad Naim,Westin, Gunnar,Tungasmita, Duangamol N.,Samec, Joseph S. M.. "Lignin Valorization by Cobalt-Catalyzed Fractionation of Lignocellulose to Yield Monophenolic Compounds". . p. 404 - 408. Retrieved 2019.
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• 7、 Li, Xiao-Hong,Mi, Chun,Liao, Xiao-Hong,Meng, Xiang-Guang. "Selective Oxidation of Aromatic Olefins Catalyzed by Copper(II) Complex in Micellar Media". . p. 2508 - 2514. Retrieved 2017.
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