Methyl 3-(4-hydroxy-3-methylphenyl)propanoate

Base Information

• Chemical Name: Methyl 3-(4-hydroxy-3-methylphenyl)propanoate
• CAS No.: 22516-91-2
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• European Community (EC) Number: 829-093-3
• Nikkaji Number: J3.034.283F
• Mol file: 22516-91-2.mol

Synonyms:22516-91-2;methyl 3-(4-hydroxy-3-methylphenyl)propanoate;starbld0021257;SCHEMBL18269500;MFCD20921482;AKOS005216781;Methyl 4-hydroxy-3-methylbenzenepropanoate;F78431;EN300-6491852;Methyl 3-(4-hydroxy-3-methyl-phenyl) Propanoate

Chemical Property of Methyl 3-(4-hydroxy-3-methylphenyl)propanoate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 3-(4-hydroxy-3-methylphenyl)propanoate

There total 6 articles about Methyl 3-(4-hydroxy-3-methylphenyl)propanoate 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%

C18H20O3 → methyl 3-(4-hydroxy-3-methylphenyl)propanoate (22516-91-2)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1080/15257770701503886

Reference yield: 75.0%

methyl 3-methyl-4-hydroxy-cinnamate (1264273-54-2) → methyl 3-(4-hydroxy-3-methylphenyl)propanoate (22516-91-2)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 20 ℃; for 20h;

Reference yield:

3-(4-hydroxy-3-methylphenyl)propanenitrile (22516-99-0) → methyl 3-(4-hydroxy-3-methylphenyl)propanoate (22516-91-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / Heating

2: H₂SO₄ / 1,2-dichloro-ethane / Heating

With sodium hydroxide; sulfuric acid; In 1,2-dichloro-ethane;

DOI:10.1039/j39690000188

upstream raw materials:

methanol

β-(3-Methyl-4-hydroxy-phenyl)-propionsaeure

3-(4-hydroxy-3-methylphenyl)propanenitrile

ortho-cresol

Downstream raw materials:

β-<4-Hydroxy-3-methyl-cyclohexyl>-propionsaeuremethylester

6-chloro-4-(3-hydroxypropyl)-2-methylphenol

β-<3-Methyl-4-oxo-cyclohexyl>-propionsaeure-methylester