2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester
• CAS No.: 10353-07-8
• Molecular Formula: C13H13NO4
• Molecular Weight: 247.251
• DSSTox Substance ID: DTXSID90392481
• Mol file: 10353-07-8.mol

Synonyms:10353-07-8;2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester;SCHEMBL8359618;DTXSID90392481;KTRGSRCVNPNFMP-UHFFFAOYSA-N;alpha-cyano-3,4-dimethoxycinnamic methyl ester;Methyl 2-Cyano-3-(3,4-Dimethoxyphenyl)2-Propenoate

Chemical Property of 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 247.08445790
• Heavy Atom Count: 18
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester

There total 3 articles about 2-Propenoic acid, 2-cyano-3-(3,4-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: 95.0%

methanol (67-56-1) + 2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid (86213-20-9) → methyl 2-cyano-3-(3,4-dimethoxyphenyl)acrylate (10353-07-8)

Guidance literature:

With sulfuric acid; acetonitrile; at 80 - 85 ℃; for 16 - 18h;

DOI:10.1080/00397911.2013.837485

Reference yield: 89.0%

3,4-dimethoxy-benzaldehyde (120-14-9) + methyl 2-cyanoacetate (105-34-0) → methyl 2-cyano-3-(3,4-dimethoxyphenyl)acrylate (10353-07-8)

Guidance literature:

In water; at 25 ℃; for 0.05h; Sonication; Green chemistry;

DOI:10.1080/00304948.2020.1831894

Reference yield:

→ methyl 2-cyano-3-(3,4-dimethoxyphenyl)acrylate (10353-07-8)

Guidance literature:

3,4-Dimethoxybenzaldehyd 1.) Cyanessigsaeure-methylester 2.) NaOH;

upstream raw materials:

methanol

2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid

3,4-dimethoxy-benzaldehyde

methyl 2-cyanoacetate