Ethyl 3,4-dimethoxyphenylglyoxylate

Base Information

• Chemical Name: Ethyl 3,4-dimethoxyphenylglyoxylate
• CAS No.: 40233-98-5
• Molecular Formula: C12H14 O5
• Molecular Weight: 238.24
• European Community (EC) Number: 254-852-5
• DSSTox Substance ID: DTXSID6068220
• Nikkaji Number: J332.389G
• Wikidata: Q81994938
• Mol file: 40233-98-5.mol

Synonyms:40233-98-5;Ethyl 3,4-dimethoxyphenylglyoxylate;Ethyl 3,4-dimethoxybenzoylformate;ethyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate;EINECS 254-852-5;Ethyl 3,4-dimethoxybenzoylcarboxylate;Benzeneacetic acid, 3,4-dimethoxy-.alpha.-oxo-, ethyl ester;Benzeneacetic acid, 3,4-dimethoxy-alpha-oxo-, ethyl ester;SCHEMBL2124837;DTXSID6068220;MFCD06201710;AKOS006021928;ethyl (3,4-dimethoxyphenyl)(oxo)acetate;ethyl2-(3,4-dimethoxyphenyl)-2-oxoacetate;CS-0332414;F79992;2-(3,4-Dimethoxyphenyl)glyoxylic acid ethyl ester

Chemical Property of Ethyl 3,4-dimethoxyphenylglyoxylate

Chemical Property:

• Vapor Pressure: 3.2E-05mmHg at 25°C
• Boiling Point: 355.1°Cat760mmHg
• Flash Point: 156.9°C
• PSA: 61.83000
• Density: 1.159g/cm³
• LogP: 1.44960
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 238.08412354
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

98%Min ^*data from raw suppliers

(3,4-Dimethoxyphenyl)oxoaceticacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C1=CC(=C(C=C1)OC)OC

Technology Process of Ethyl 3,4-dimethoxyphenylglyoxylate

There total 11 articles about Ethyl 3,4-dimethoxyphenylglyoxylate 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: 99.94%

1,2-dimethoxybenzene (91-16-7) + Ethyl oxalyl chloride (4755-77-5) → 3,4-dimethoxyphenylglyoxylic acid ethyl ester (40233-98-5)

Guidance literature:

Ethyl oxalyl chloride; With aluminum (III) chloride; In dichloromethane; for 0.166667h; Inert atmosphere; Cooling with ice;

1,2-dimethoxybenzene; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

Reference yield: 80.0%

3,4-dimethoxyphenylmagnesium bromide (89980-69-8) + oxalic acid diethyl ester (95-92-1) → 3,4-dimethoxyphenylglyoxylic acid ethyl ester (40233-98-5)

Guidance literature:

In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201102913

Reference yield: 78.0%

ethanol (64-17-5) + 1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one (127172-22-9) → 3,4-dimethoxyphenylglyoxylic acid ethyl ester (40233-98-5)

Guidance literature:

With acetic acid; Rose Bengal lactone; at 20 ℃; for 24h; chemoselective reaction; Molecular sieve; Photolysis;

DOI:10.1039/c9gc01357a

upstream raw materials:

1,2-dimethoxybenzene

Ethyl oxalyl chloride

aluminium trichloride

nitrobenzene

Downstream raw materials:

ethyl-2-(3,4-dimethoxyphenyl)-2-hydroxyacetate

ethyl 3,4-dimethoxyphenylacetate

3-(3,4-dimethoxy-phenyl)-7,8-dihydroxy-benzo[1,4]oxazin-2-one

8-chloro-3-(3,4-dimethoxy-phenyl)-6-nitro-benzo[1,4]oxazin-2-one

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