4-Oxo-4-(2,4,6-trimethoxyphenyl)-2-butenoic acid

Base Information

• Chemical Name: 4-Oxo-4-(2,4,6-trimethoxyphenyl)-2-butenoic acid
• CAS No.: 84386-14-1
• Molecular Formula: C13H14O6
• Molecular Weight: 266.251
• European Community (EC) Number: 303-687-8
• Nikkaji Number: J382.482I
• Wikidata: Q76324472
• Mol file: 84386-14-1.mol

Synonyms:4-Oxo-4-(2,4,6-trimethoxyphenyl)-2-butenoic acid;94201-96-4;EINECS 303-687-8;(E)-4-(2,4,6-Trimethoxyphenyl)-4-oxo-2-butenoic acid;(E)-4-Oxo-4-(2,4,6-trimethoxyphenyl)-2-butenoic acid;2-Butenoic acid, 4-oxo-4-(2,4,6-trimethoxyphenyl)-, (E)-;84386-14-1;SCHEMBL11112309;SCHEMBL11112313;LS-47219

Chemical Property of 4-Oxo-4-(2,4,6-trimethoxyphenyl)-2-butenoic acid

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 266.07903816
• Heavy Atom Count: 19
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Oxo-4-(2,4,6-trimethoxyphenyl)-2-butenoic acid

There total 2 articles about 4-Oxo-4-(2,4,6-trimethoxyphenyl)-2-butenoic 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: 53.0%

1-(2,4,6-trimethoxyphenyl)ethanone (832-58-6) + 2,2-dihydroxyacetic acid (563-96-2) → (E)-4-(2,4,6-trimethoxyphenyl)-4-oxo-2-butenoic acid (84386-14-1,94201-96-4)

Guidance literature:

With potassium hydroxide; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1016/0223-5234(88)90166-3

Reference yield:

1-(2,4,6-trimethoxyphenyl)ethanone (832-58-6) + Glyoxilic acid (298-12-4) → (E)-4-(2,4,6-trimethoxyphenyl)-4-oxo-2-butenoic acid (84386-14-1,94201-96-4)

Guidance literature:

With potassium hydroxide; In ethanol; water;

upstream raw materials:

1-(2,4,6-trimethoxyphenyl)ethanone

2,2-dihydroxyacetic acid

Glyoxilic acid

Refernces

• 1、 -. "Derivatives of phenyl aliphatic carboxylic acids, and use thereof in treating gastric and gastro-duodenal ailments". . . Retrieved 2008/06/13.