3,4-Dimethylphenylglyoxylic acid

Base Information

• Chemical Name: 3,4-Dimethylphenylglyoxylic acid
• CAS No.: 36799-48-1
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.188
• UNII: L3J052ZI94
• DSSTox Substance ID: DTXSID70190265
• Wikidata: Q27282656
• ChEMBL ID: CHEMBL3580420
• Mol file: 36799-48-1.mol

Synonyms:3,4-Dimethylphenylglyoxylic acid;36799-48-1;(3,4-Dimethylphenyl)glyoxylic acid;UNII-L3J052ZI94;2-(3,4-dimethylphenyl)-2-oxoacetic acid;L3J052ZI94;CHEMBL3580420;SCHEMBL10582008;DTXSID70190265;GLYOXYLIC ACID, 3,4-XYLYL-;AKOS017518135;CS-0281446;EN300-1852512;Q27282656;BENZENEACETIC ACID, 3,4-DIMETHYL-.ALPHA.-OXO-

Chemical Property of 3,4-Dimethylphenylglyoxylic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)C(=O)O)C

Technology Process of 3,4-Dimethylphenylglyoxylic acid

There total 3 articles about 3,4-Dimethylphenylglyoxylic acid 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: 82.0%

3,4-dimethylacetophenone (3637-01-2) → 3,4-dimethylphenylglyoxylic acid (36799-48-1)

Guidance literature:

With pyridine; selenium(IV) oxide; for 3h; Reflux;

Reference yield:

1,4-bis-(3,4-dimethyl-phenyl)-3-hydroxy-butane-1,2,4-trione + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3,4-dimethylphenylglyoxylic acid (36799-48-1) + 3,4-dimethylbenzoic acid (619-04-5)

Guidance literature:

at 25 ℃;

Reference yield:

3,4-dimethylacetophenone (3637-01-2) → 3,4-dimethylphenylglyoxylic acid (36799-48-1)

Guidance literature:

With alkali;

upstream raw materials:

benzene

3,4-dimethylacetophenone

Downstream raw materials:

(2-benzoylphenyl)(3,4-dimethylphenyl)methanone

ethyl 2-(3,4-dimethylphenyl)-2-oxoacetate