(E)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enoic acid

Base Information

• Chemical Name: (E)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enoic acid
• CAS No.: 70570-20-6
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• NSC Number: 36177
• DSSTox Substance ID: DTXSID00417952
• Wikidata: Q82228201
• Mol file: 70570-20-6.mol

Synonyms:70570-20-6;(2E)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enoic acid;NSC36177;(E)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enoic acid;SCHEMBL10497242;DTXSID00417952;MFCD06207006;NSC-36177;AKOS016352681;EN300-729483

Chemical Property of (E)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enoic acid

Chemical Property:

• Vapor Pressure: 3.56E-06mmHg at 25°C
• Boiling Point: 371.4°Cat760mmHg
• Flash Point: 141.8°C
• Density: 1.173g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC(=C(C=C1)OC)OC)C(=O)O
• Isomeric SMILES: C/C(=C\C1=CC(=C(C=C1)OC)OC)/C(=O)O

Technology Process of (E)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enoic acid

There total 6 articles about (E)-3-(3,4-dimethoxyphenyl)-2-methylprop-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:

3,4-dimethoxy-benzaldehyde (120-14-9) → (E)-2-methyl-3-(3,4-dimethoxyphenyl)acrylic acid (70570-20-6)

Guidance literature:

With sodium acetate; propionic acid anhydride; at 175 ℃;

Reference yield:

(E)-3-(3,4-dimethoxyphenyl)-2-methylacrylic acid methyl ester (107150-69-6) → (E)-2-methyl-3-(3,4-dimethoxyphenyl)acrylic acid (70570-20-6)

Guidance literature:

With sodium hydroxide; In methanol; dimethyl sulfoxide; at 0 - 25 ℃; for 12.5h;

DOI:10.1246/Cl.2005.264

Reference yield:

methyl-propanedioic acid (516-05-2) + 3,4-dimethoxy-benzaldehyde (120-14-9) → (E)-2-methyl-3-(3,4-dimethoxyphenyl)acrylic acid (70570-20-6)

Guidance literature:

With piperidine; pyridine;

DOI:10.1021/ja01551a048

upstream raw materials:

methyl-propanedioic acid

3,4-dimethoxy-benzaldehyde

Ethyl 2-bromopropionate

(E)-3-(3,4-dimethoxyphenyl)-2-methylacrylic acid methyl ester

Downstream raw materials:

3,4-dimethoxyphenylacetone