2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, methyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, methyl ester
• CAS No.: 15854-60-1
• Molecular Formula: C12H14 O4
• Molecular Weight: 222.2372
• Nikkaji Number: J1.093.040E,J2.310.414H
• ChEMBL ID: CHEMBL2252100
• Mol file: 15854-60-1.mol

Synonyms:15854-60-1;2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, methyl ester;methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate;2,3-Dimethoxycinnamic acid methyl ester;Methyl 3-(2,3-dimethoxyphenyl)-2-propenoate;SCHEMBL7438622;CHEMBL2252100;CIKXUIAMEYGMHP-BQYQJAHWSA-N;AKOS017259838;3-(2,3-Dimethoxyphenyl)propenoic acid methyl ester;Methyl (2E)-3-(2,3-dimethoxyphenyl)-2-propenoate #

Chemical Property of 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 0.000227mmHg at 25°C
• Boiling Point: 325.7°Cat760mmHg
• Flash Point: 142.2°C
• Density: 1.12g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)C=CC(=O)OC
• Isomeric SMILES: COC1=CC=CC(=C1OC)/C=C/C(=O)OC

Technology Process of 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, methyl ester

There total 4 articles about 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, methyl ester 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: 100.0%

→ methyl 3-(2,3-dimethoxyphenyl)nitrobutanoate + methyl 3-(2,3-dimethoxyphenyl)propenoate (15854-60-1)

Guidance literature:

Reference yield: 85.0%

methanol (67-56-1) + trans-2,3-dimethoxycinnamic acid (7345-82-6) → methyl 3-(2,3-dimethoxyphenyl)propenoate (15854-60-1)

Guidance literature:

With sulfuric acid; for 12h; Heating;

DOI:10.1021/je00054a042

Reference yield:

trans-2,3-dimethoxycinnamic acid (7345-82-6) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → methyl 3-(2,3-dimethoxyphenyl)propenoate (15854-60-1)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01630a104

upstream raw materials:

trans-2,3-dimethoxycinnamic acid

1,2-dichloro-ethane

methanol

methyl iodide

Downstream raw materials:

(2,3-dimethoxy-phenyl)-propiolic acid

(E)-4-(2,3-Dimethoxy-phenyl)-2-methyl-but-3-en-2-ol

methyl 3-(2,3-dimethoxyphenyl)propanoate

5,6-dimethoxy-2-tetralone

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