Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate

Base Information

• Chemical Name: Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate
• CAS No.: 61292-90-8
• Molecular Formula: C12H16 O4
• Molecular Weight: 224.257
• Hs Code.: 2918990090
• European Community (EC) Number: 262-689-6
• DSSTox Substance ID: DTXSID00210182
• Nikkaji Number: J268.429B
• Wikidata: Q83084771
• ChEMBL ID: CHEMBL228121
• Mol file: 61292-90-8.mol

Synonyms:Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate;61292-90-8;Ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate;EINECS 262-689-6;Ethyl-beta-(4-hydroxy-3-methoxy-phenyl)-propionate;Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate,;Ethyl-.beta.-(4-hydroxy-3-methoxy-phenyl)-propionate;3-(4-hydroxy-3-methoxy-phenyl)-propionic acid ethyl ester;3-(4-hydroxy-3-methoxy-phenyl]-propionic acid ethyl ester;Dihydroferulic acid ethyl;SodiumO-Ethyldithiocarbonate;SCHEMBL356300;dihydroferulic acid ethyl ester;CHEMBL228121;DTXSID00210182;MFCD00017278;AKOS015856209;FS-4967;FT-0640742;.alpha.,.beta.-Dihydroferulic acid, ethyl ester;Ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate #;Benzenepropanoic acid,4-hydroxy-3-methoxy-,ethyl ester;Benzenepropanoic acid, 4-hydroxy-3-methoxy-, ethyl ester

Chemical Property of Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate

Chemical Property:

• Vapor Pressure: 4.98E-05mmHg at 25°C
• Boiling Point: 128 °C
• PKA: 10.03±0.20(Predicted)
• Flash Point: 125.4°C
• PSA: 55.76000
• Density: 1,15 g/cm3
• LogP: 1.89650
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

98% ^*data from raw suppliers

EthylHydroferulate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC(=C(C=C1)O)OC

Technology Process of Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate

There total 12 articles about Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate 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%

ethyl 4-hydroxy-3-methoxycinnamate (4046-02-0) → ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate (61292-90-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2016.08.021

Reference yield: 100.0%

ethyl ferulate (28028-62-8,74257-26-4,4046-02-0) → ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate (61292-90-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 2h;

Reference yield: 96.0%

ethanol (64-17-5) + 3-(4-hydroxy-3-methoxyphenyl)propionic acid (1135-23-5) → ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate (61292-90-8)

Guidance literature:

With sulfuric acid; In methanol; at 0 - 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2010.08.073

upstream raw materials:

ethanol

3-(4-hydroxy-3-methoxyphenyl)propionic acid

ethyl 4-hydroxy-3-methoxycinnamate

ethyl ferulate

Downstream raw materials:

3-Guaiacylpropanol

Refernces

• 1、 Hattori, Hiroyuki,Mitsunaga,Clive, Derrick L.J.. "Synthesis of phenolic components of Grains of Paradise". supporting information. p. 1989 - 1991. Retrieved 2019/07/03.
• 2、 Davidson, Samuel J.,Pilkington, Lisa I.,Dempsey-Hibbert, Nina C.,El-Mohtadi, Mohamed,Tang, Shiying,Wainwright, Thomas,Whitehead, Kathryn A.,Barker, David. "Modular synthesis and biological investigation of 5-hydroxymethyl dibenzyl butyrolactones and related lignans". . . Retrieved 2018/11/30.