3-(4-Hydroxy-2-methylphenyl)prop-2-enoic acid

Base Information

• Chemical Name: 3-(4-Hydroxy-2-methylphenyl)prop-2-enoic acid
• CAS No.: 103203-88-9
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.188
• DSSTox Substance ID: DTXSID70695366
• Mol file: 103203-88-9.mol

Synonyms:3-(4-Hydroxy-2-methylphenyl)prop-2-enoic acid;DTXSID70695366

Chemical Property of 3-(4-Hydroxy-2-methylphenyl)prop-2-enoic acid

Chemical Property:

• PSA: 57.53000
• LogP: 1.79840
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

4-hydroxy-2-methylcinnamicacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)O)C=CC(=O)O

Technology Process of 3-(4-Hydroxy-2-methylphenyl)prop-2-enoic acid

There total 2 articles about 3-(4-Hydroxy-2-methylphenyl)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:

malonic acid (141-82-2) + 4-hydroxy-2-methyl-benzaldehyde (41438-18-0) → 2-methyl-4-hydroxycinnamic acid (103203-88-9)

Guidance literature:

With piperidine; pyridine;

DOI:10.1021/ja01526a069

Reference yield:

(E)-3-(2-methylphenyl)acrylic acid (939-57-1,2373-76-4,41397-71-1) → 2-methyl-4-hydroxycinnamic acid (103203-88-9)

Guidance literature:

With oxygen; NADPH; In various solvent(s); at 30 ℃; Enzyme kinetics;

DOI:10.1016/j.phytochem.2006.10.018

Reference yield:

2-methyl-4-hydroxycinnamic acid (103203-88-9) → 3-(4-hydroxy-2-methylphenyl)propanoic acid (28353-92-6)

Guidance literature:

With palladium on activated charcoal; ethanol; ethyl acetate; Hydrogenation;

DOI:10.1021/ja01526a069

upstream raw materials:

malonic acid

4-hydroxy-2-methyl-benzaldehyde

(E)-3-(2-methylphenyl)acrylic acid

Downstream raw materials:

3-(4-hydroxy-2-methylphenyl)propanoic acid