Glyoxylic acid, (3,4-dimethoxyphenyl)-

Base Information

• Chemical Name: Glyoxylic acid, (3,4-dimethoxyphenyl)-
• CAS No.: 4732-70-1
• Molecular Formula: C10H10 O5
• Molecular Weight: 210.186
• UNII: 86VGY3VW2J
• DSSTox Substance ID: DTXSID20197103
• Nikkaji Number: J1.551.720D
• Wikidata: Q83070070
• ChEMBL ID: CHEMBL301643
• Mol file: 4732-70-1.mol

Synonyms:4732-70-1;2-(3,4-dimethoxyphenyl)-2-oxoacetic acid;Glyoxylic acid, (3,4-dimethoxyphenyl)-;3,4-Dimethoxyphenylglyoxylic acid;86VGY3VW2J;CHEMBL301643;3,4-dimethoxybenzoylformic acid;veratroylformic acid;(3,4-Dimethoxyphenyl)glyoxylic acid;UNII-86VGY3VW2J;SCHEMBL339242;3,4-dimethoxybenzoylformicacid;DTXSID20197103;BDBM50102188;(3,4-Dimethoxy-phenyl)-oxo-acetic acid;F79769;EN300-1165428;3,4-DIMETHOXY-.ALPHA.-OXOBENZENEACETIC ACID;BENZENEACETIC ACID, 3,4-DIMETHOXY-.ALPHA.-OXO-

Chemical Property of Glyoxylic acid, (3,4-dimethoxyphenyl)-

Chemical Property:

• Vapor Pressure: 9.83E-06mmHg at 25°C
• Boiling Point: 357.6°Cat760mmHg
• Flash Point: 141.9°C
• PSA: 72.83000
• Density: 1.284g/cm³
• LogP: 0.97110
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 210.05282342
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dimethoxybenzoylformicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C(=O)O)OC

Technology Process of Glyoxylic acid, (3,4-dimethoxyphenyl)-

There total 27 articles about Glyoxylic acid, (3,4-dimethoxyphenyl)- 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: 88.0%

1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → 3,4-dimethoxyphenylglyoxylic acid (4732-70-1)

Guidance literature:

With pyridine; selenium(IV) oxide; at 90 - 110 ℃; Inert atmosphere;

DOI:10.1021/jacs.9b09099

Reference yield: 81.0%

1,2-dimethoxybenzene (91-16-7) + Ethyl oxalyl chloride (4755-77-5) → 3,4-dimethoxyphenylglyoxylic acid (4732-70-1)

Guidance literature:

1,2-dimethoxybenzene; Ethyl oxalyl chloride; With aluminium trichloride; In 1,2-dichloro-ethane; for 8h; Heating;

With hydrogenchloride; In 1,2-dichloro-ethane; Further stages.; cooling;

DOI:10.1021/jo701590p

Reference yield: 61.0%

3,4-dimethoxyphenylglyoxylic acid ethyl ester (40233-98-5) → 3,4-dimethoxyphenylglyoxylic acid (4732-70-1)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 3h;

DOI:10.1021/acs.jmedchem.6b00460

upstream raw materials:

1,2-dimethoxy-4-(2-propenyl)benzene

(3,4-dimethoxy-phenyl)-glyoxylonitrile

(4-hydroxy-3-methoxy-phenyl)-glyoxylic acid

dimethyl sulfate

Downstream raw materials:

N-[2-(1H-indole-3-yl)-2-oxoethyl]-2-(3,4-dimethoxy phenyl)-2-oxoacetamide

3-(3,4-dimethoxyphenyl)-5-(1H-indole-3-yl)pyrazine-2(1H)-one

2-(3,4-dimethoxyphenyl)-1H-benzo[d]imidazole

veratronitrile

Refernces

• 1、 -. "Preparation method for degrading impurity in ivabradine hydrochloride". Paragraph 0071-0073; 0084-0086; 0097-0099. . Retrieved 2021/10/11.
• 2、 Hunjan, Mandeep Kaur,Laha, Joydev K.. "Diversity in Heterocycle Synthesis Using α-Iminocarboxylic Acids: Decarboxylation Dichotomy". . . Retrieved 2022/02/07.