Methyl 4-(2-hydroxyphenyl)butanoate

Base Information

• Chemical Name: Methyl 4-(2-hydroxyphenyl)butanoate
• CAS No.: 93108-07-7
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID90477181
• Nikkaji Number: J1.970.852G
• Wikidata: Q82309466
• Mol file: 93108-07-7.mol

Synonyms:Methyl 4-(2-hydroxyphenyl)butanoate;93108-07-7;Benzenebutanoic acid, 2-hydroxy-, methyl ester;MFCD24714538;SCHEMBL7117086;DTXSID90477181;UUMPJJUSWJCWJU-UHFFFAOYSA-N;Methyl4-(2-hydroxyphenyl)butanoate;methyl 4-(2-hydroxyphenyl)butyrate;AKOS030623264;2-hydroxybenzenebutanoic acid methyl ester;DS-19993;SY287707;CS-0161008;D83920

Chemical Property of Methyl 4-(2-hydroxyphenyl)butanoate

Chemical Property:

• Vapor Pressure: 0.000172mmHg at 25°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CCCC1=CC=CC=C1O

Technology Process of Methyl 4-(2-hydroxyphenyl)butanoate

There total 8 articles about Methyl 4-(2-hydroxyphenyl)butanoate 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: 89.0%

methanol (67-56-1) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → methyl 4-(2-hydroxyphenyl)-butyrate (93108-07-7)

Guidance literature:

With dipotassium peroxodisulfate; sulfuric acid; In methanol; Ambient temperature;

Reference yield: 64.0%

Methyl thioglycolate (2365-48-2) + 2-allylphenol (695-84-1) → methyl 4-(2-hydroxyphenyl)-butyrate (93108-07-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); triethyl phosphite; In 1,2-dichloro-ethane; at 80 ℃; for 12h; under 760.051 Torr; Inert atmosphere; Schlenk technique;

DOI:10.1039/c9cc05378f

Reference yield:

2-hydroxybenzenebutanoic acid (35387-19-0) → methyl 4-(2-hydroxyphenyl)-butyrate (93108-07-7)

Guidance literature:

With sulfuric acid; In methanol;

upstream raw materials:

3,4-dihydronaphthalene-1(2H)-one

methanol

tetralin

2-hydroxybenzenebutanoic acid

Downstream raw materials:

2-hydroxybenzenebutanoic acid

beraprost

methyl 4-(3-bromo-2-hydroxyphenyl)butanoate

4-(2-hydroxyphenyl)-1-butanol