(2e)-4-(2,5-Dimethoxyphenyl)-4-oxobut-2-enoic acid

Base Information

• Chemical Name: (2e)-4-(2,5-Dimethoxyphenyl)-4-oxobut-2-enoic acid
• CAS No.: 85293-40-9
• Molecular Formula: C12H12O5
• Molecular Weight: 236.2207
• ChEMBL ID: CHEMBL4446640

Synonyms:(2e)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid;(E)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid;85293-40-9;(E)-4-(2,5-Dimethoxyphenyl)-4-oxo-2-butenoic acid;2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-;NSC636806;CHEMBL4446640;AKOS014045890;4-(2,5-Dimethoxyphenyl)-4-oxo-2-butenoic acid;(E)-4-(2,5-dimethoxyphenyl)-4-oxo-but-2-enoic acid

Chemical Property of (2e)-4-(2,5-Dimethoxyphenyl)-4-oxobut-2-enoic acid

Chemical Property:

• Vapor Pressure: 8.8E-09mmHg at 25°C
• Boiling Point: 447.2°Cat760mmHg
• Flash Point: 175.1°C
• Density: 1.241g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 236.06847348
• Heavy Atom Count: 17
• Complexity: 310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (2e)-4-(2,5-Dimethoxyphenyl)-4-oxobut-2-enoic acid

There total 4 articles about (2e)-4-(2,5-Dimethoxyphenyl)-4-oxobut-2-enoic 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: 73.0%

2',5'-dimethoxyacetophenone (1201-38-3) + Glyoxilic acid (298-12-4) → (E)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid (85293-40-9)

Guidance literature:

With acetic acid; Reflux;

DOI:10.1039/C6RA24953A

Reference yield:

maleic anhydride (108-31-6) + 1,4-dimethoxybezene (150-78-7) → (E)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid (85293-40-9)

Guidance literature:

With carbon disulfide; aluminium trichloride;

Reference yield:

(Z)-3-(ethoxycarbonyl)propenoyl chloride (36680-28-1) + 1,4-dimethoxybezene (150-78-7) → (E)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid (85293-40-9)

Guidance literature:

With aluminium trichloride; 1,1,2,2-tetrachloroethane; Erhitzen des Reaktionsprodukts mit wss. Salzsaeure;

upstream raw materials:

maleic anhydride

1,4-dimethoxybezene

(Z)-3-(ethoxycarbonyl)propenoyl chloride

2',5'-dimethoxyacetophenone

Downstream raw materials:

(E)-methyl 4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoate

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