3-(2,6-dimethoxyphenyl)prop-2-enoic Acid

Base Information

• Chemical Name: 3-(2,6-dimethoxyphenyl)prop-2-enoic Acid
• CAS No.: 76197-69-8
• Molecular Formula: C11H12 O4
• Molecular Weight: 208.214
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00353205
• Mol file: 76197-69-8.mol

Synonyms:3-(2,6-dimethoxyphenyl)prop-2-enoic Acid;DTXSID00353205

Chemical Property of 3-(2,6-dimethoxyphenyl)prop-2-enoic Acid

Chemical Property:

• PSA: 55.76000
• LogP: 1.80160
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2,6-DimethoxycinnamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2,6-dimethoxyphenyl)prop-2-enoic Acid

There total 4 articles about 3-(2,6-dimethoxyphenyl)prop-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: 97.8%

(E)-3-(2,6-dimethoxy-phenyl)-acrylic acid methyl ester (154424-13-2) → (2E)-3-(2,6-dimethoxyphenyl)prop-2-enoic acid (76197-69-8)

Guidance literature:

With sodium hydroxide; In methanol; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2019.111650

Reference yield: 96.0%

malonic acid (141-82-2) + 2,6-dimethoxybenzaldehyde (3392-97-0) → (2E)-3-(2,6-dimethoxyphenyl)prop-2-enoic acid (76197-69-8)

Guidance literature:

2,6-dimethoxybenzaldehyde; With pyridine; at 20 ℃; for 0.166667h; Inert atmosphere;

malonic acid; With piperidine; for 5h; Reflux; Inert atmosphere;

DOI:10.1002/anie.201913023

Reference yield: 57.0%

→ (2E)-3-(2,6-dimethoxyphenyl)prop-2-enoic acid (76197-69-8)

Guidance literature:

With piperidine; pyridine; for 8h; Reflux;

upstream raw materials:

malonic acid

2,6-dimethoxybenzaldehyde

(E)-3-(2,6-dimethoxy-phenyl)-acrylic acid methyl ester

Downstream raw materials:

3-(2,6-dimethoxyphenyl)propanoic acid

(E)-3-(2,6-dimethoxy-phenyl)-acrylic acid methyl ester

recorcinol