Ethyl 2,4-dimethoxybenzoylformate

Base Information

• Chemical Name: Ethyl 2,4-dimethoxybenzoylformate
• CAS No.: 6592-19-4
• Molecular Formula: C12H14O5
• Molecular Weight: 238.24
• DSSTox Substance ID: DTXSID90563179
• Nikkaji Number: J836.794I
• Wikidata: Q82447548
• Mol file: 6592-19-4.mol

Synonyms:ETHYL 2,4-DIMETHOXYBENZOYLFORMATE;6592-19-4;ethyl 2-(2,4-dimethoxyphenyl)-2-oxoacetate;MFCD09801404;SCHEMBL11560763;DTXSID90563179;AKOS006022170;ETHYL2,4-DIMETHOXYBENZOYLFORMATE;Ethyl (2,4-dimethoxyphenyl)(oxo)acetate;CS-0361370;ethyl 2,4-dimethoxybenzoylformate, AldrichCPR

Chemical Property of Ethyl 2,4-dimethoxybenzoylformate

Chemical Property:

• Vapor Pressure: 1.53E-05mmHg at 25°C
• Boiling Point: 365.8°C at 760 mmHg
• Flash Point: 162.3°C
• PSA: 61.83000
• Density: 1.159g/cm³
• LogP: 1.44960
• XLogP3: 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:

97% ^*data from raw suppliers

(2,4-Dimethoxyphenyl)oxoaceticacidethylester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2,4-dimethoxybenzoylformate

There total 4 articles about Ethyl 2,4-dimethoxybenzoylformate 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: 97.0%

Ethyl oxalyl chloride (4755-77-5) + 1,3-Dimethoxybenzene (151-10-0) → (2,4-dimethoxyphenyl)-glyoxalic acid ethyl ester (6592-19-4)

Guidance literature:

Ethyl oxalyl chloride; With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 0.25h;

1,3-Dimethoxybenzene; In dichloromethane; at 0 - 20 ℃;

DOI:10.1039/d0ob01169j

Reference yield: 89.0%

ethyl 3-hydroxy-2-(2,4-dimethoxyphenyl)propenoate → (2,4-dimethoxyphenyl)-glyoxalic acid ethyl ester (6592-19-4)

Guidance literature:

With ozone; In methanol; at -78 ℃; for 0.25h;

DOI:10.1080/00397919908086470

Reference yield:

1-Bromo-2,4-dimethoxybenzene (17715-69-4) + oxalic acid diethyl ester (95-92-1) → (2,4-dimethoxyphenyl)-glyoxalic acid ethyl ester (6592-19-4)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) ether, RT, 26 h, 2.) 0 deg C, 1 h;

upstream raw materials:

Ethyl oxalyl chloride

1,3-Dimethoxybenzene

1-Bromo-2,4-dimethoxybenzene

oxalic acid diethyl ester

Downstream raw materials:

ethyl 2-methoxy-(α-2,4-dimethoxyphenyl)cinnamate

ethyl (+)-2-hydroxy-(2',4'-dimethoxyphenyl)acetate

ethyl (-)-2-hydroxy-(2',4'-dimethoxyphenyl)acetate

2-(2,4-dimethoxyphenyl)-2-oxo-N-phenylacetamide

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