Benzyl 3-(4-hydroxyphenyl)propanoate

Base Information

• Chemical Name: Benzyl 3-(4-hydroxyphenyl)propanoate
• CAS No.: 31770-76-0
• Molecular Formula: C16H16O3
• Molecular Weight: 256.301
• DSSTox Substance ID: DTXSID50557478
• Nikkaji Number: J31.513C
• Wikidata: Q82439408
• Mol file: 31770-76-0.mol

Synonyms:31770-76-0;benzyl 3-(4-hydroxyphenyl)propanoate;BENZYL 3-(4-HYDROXYPHENYL)PROPIONATE;3-(4-Hydroxyphenyl)propionic acid benzyl ester;3-(4-hydroxy-phenyl)-propionic acid benzyl ester;SCHEMBL305392;DTXSID50557478;QOXWTUFCSBOGAB-UHFFFAOYSA-N;AKOS027447746;A1-64338

Chemical Property of Benzyl 3-(4-hydroxyphenyl)propanoate

Chemical Property:

• Melting Point: 170-174°C
• Boiling Point: 407.9±25.0 °C(Predicted)
• PKA: 9.97±0.15(Predicted)
• Density: 1.176±0.06 g/cm3(Predicted)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Benzyl3-(4-Hydroxyphenyl)propionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)CCC2=CC=C(C=C2)O

Technology Process of Benzyl 3-(4-hydroxyphenyl)propanoate

There total 4 articles about Benzyl 3-(4-hydroxyphenyl)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: 99.0%

4-hydroxyphenylpropionic acid (501-97-3) + benzyl bromide (100-39-0) → 3-(4-hydroxyphenyl)propionic acid benzyl ester (31770-76-0)

Guidance literature:

With potassium hydrogencarbonate; In acetone; for 18h; Reflux;

DOI:10.1021/ol400736w

Reference yield: 73.0%

4-hydroxyphenylpropionic acid (501-97-3) + benzyl alcohol (100-51-6,185532-71-2) → 3-(4-hydroxyphenyl)propionic acid benzyl ester (31770-76-0)

Guidance literature:

With phosphoric acid; In toluene; for 10h; Heating;

DOI:10.1081/NCN-120027820

Reference yield:

4-hydroxyphenylpropionic acid (501-97-3) + benzyl chloride (100-44-7) → 3-(4-hydroxyphenyl)propionic acid benzyl ester (31770-76-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jm00273a011

upstream raw materials:

4-hydroxyphenylpropionic acid

benzyl chloride

benzyl alcohol

benzyl bromide

Downstream raw materials:

4-hydroxyphenylpropionic acid

4-(Benzyloxycarbonylamino-methyl)-cyclohexanecarboxylic acid 4-(2-benzyloxycarbonyl-ethyl)-phenyl ester

4-Cyano-cyclohexanecarboxylic acid 4-(2-benzyloxycarbonyl-ethyl)-phenyl ester

2,2,3,3-Tetramethyl-cyclopropanecarboxylic acid 4-(2-benzyloxycarbonyl-ethyl)-phenyl ester