Methyl 3-(2,5-dimethoxyphenyl)propanoate

Base Information

• Chemical Name: Methyl 3-(2,5-dimethoxyphenyl)propanoate
• CAS No.: 62397-61-9
• Molecular Formula: C12H16O4
• Molecular Weight: 224.257
• DSSTox Substance ID: DTXSID8069565
• Nikkaji Number: J429.451C
• Wikidata: Q81996491
• Mol file: 62397-61-9.mol

Synonyms:Methyl 3-(2,5-dimethoxyphenyl)propanoate;62397-61-9;Methyl 2,5-dimethoxyhydrocinnamate;Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester;SCHEMBL64208;DTXSID8069565;STK365882;AKOS005442579;CS-0331606;2,5-Dimethoxybenzenepropanoic acid methyl ester;benzenepropanoic acid,2,5-dimethoxy-,methyl ester

Chemical Property of Methyl 3-(2,5-dimethoxyphenyl)propanoate

Chemical Property:

• Vapor Pressure: 0.000561mmHg at 25°C
• Boiling Point: 311.5°Cat760mmHg
• Flash Point: 134.3°C
• PSA: 44.76000
• Density: 1.084g/cm³
• LogP: 1.80940
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

2,5-DIMETHOXY-BENZENEPROPANOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)CCC(=O)OC

Technology Process of Methyl 3-(2,5-dimethoxyphenyl)propanoate

There total 3 articles about Methyl 3-(2,5-dimethoxyphenyl)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: 97.0%

methyl 2,5-dimethoxycinnamate (28689-10-3) → methyl 3-(2,5-dimethoxyphenyl)propionate (62397-61-9)

Guidance literature:

With borane-ammonia complex; In methanol; water; at 20 ℃; for 90h; Time; chemoselective reaction; Catalytic behavior;

DOI:10.1016/j.jorganchem.2021.122181

Reference yield: 93.0%

Methyl (E)-3-(2,5-Dimethoxyphenyl)propenoate (116406-20-3) → methyl 3-(2,5-dimethoxyphenyl)propionate (62397-61-9)

Guidance literature:

With ammonium formate; silica gel; palladium dichloride; In formic acid; water; for 0.0833333h; microwave irradiation;

DOI:10.1002/hlca.200690049

Reference yield: 70.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + 1,4-dimethoxybezene (150-78-7) → methyl 3-(2,5-dimethoxyphenyl)propionate (62397-61-9)

Guidance literature:

1,4-dimethoxybezene; With n-butyllithium; In tetrahydrofuran; hexane; at 23 ℃; for 1h;

With copper(l) iodide; In tetrahydrofuran; hexane; at 0 ℃; for 1h;

acrylic acid methyl ester; With chloro-trimethyl-silane; triethylamine; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1016/S0957-4166(99)00280-3

upstream raw materials:

acrylic acid methyl ester

1,4-dimethoxybezene

Methyl (E)-3-(2,5-Dimethoxyphenyl)propenoate

methyl 2,5-dimethoxycinnamate

Downstream raw materials:

R_S-4-(2,5-dimethoxyphenyl)-1-p-tolylsulfinyl-2-butanone

methyl 3-(3,6-dioxocyclohexa-1,4-dienyl)propanoate

5-[2-(2,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-amine

(1S,2R,1'R),(1S,2R,1'S)-1,2,3,4-tetrahydro-2-(1-hydroxyethyl)-5,8-dimethoxy-O-trimethylsilyl-1-(p-tolylthio)-2-naphthol

Refernces

• 1、 Kumar, Vinod,Sharma, Anuj,Sinha, Arun K.. "Solid-supported green synthesis of substituted hydrocinnamic esters by focused microwave irradiation". . p. 483 - 495. Retrieved 2007/10/03.