Ethyl 3-(3,4,5-trimethoxyphenyl)acrylate

Base Information

• Chemical Name: Ethyl 3-(3,4,5-trimethoxyphenyl)acrylate
• CAS No.: 1878-29-1
• Molecular Formula: C14H18O5
• Molecular Weight: 266.294
• Hs Code.: 2918990090
• European Community (EC) Number: 217-516-9
• Nikkaji Number: J199.691F,J2.232.094G
• ChEMBL ID: CHEMBL1911046
• Mol file: 1878-29-1.mol

Synonyms:1878-29-1;Ethyl 3-(3,4,5-trimethoxyphenyl)acrylate;Ethyl 3,4,5-trimethoxycinnamate;ethyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate;ethyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate;(E)-ethyl 3-(3,4,5-trimethoxyphenyl)acrylate;EINECS 217-516-9;C14H18O5;SCHEMBL8772838;CHEMBL1911046;WZFPTWWCXRADLD-VOTSOKGWSA-N;MFCD00017276;AKOS015890797;Ethyl3-(3,4,5-trimethoxyphenyl)acrylate;3,4,5-Trimethoxycinnamic acid ethyl ester;CS-0434534;3,4,5-TRIMETHOXYCINNAMICACIDETHYLESTER;3,4,5-Trimethoxybenzeneacrylic acid ethyl ester;Ethyl(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Chemical Property of Ethyl 3-(3,4,5-trimethoxyphenyl)acrylate

Chemical Property:

• Appearance/Colour: Light-yellowish liquid
• Vapor Pressure: 4.22E-06mmHg at 25°C
• Melting Point: 60-62 °C
• Refractive Index: 1.525
• Boiling Point: 384 °C at 760 mmHg
• Flash Point: 168.9 °C
• PSA: 53.99000
• Density: 1.114 g/cm³
• LogP: 2.28870
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 266.11542367
• Heavy Atom Count: 19
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3,4,5-Trimethoxycinnamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC
• Isomeric SMILES: CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC

Technology Process of Ethyl 3-(3,4,5-trimethoxyphenyl)acrylate

There total 36 articles about Ethyl 3-(3,4,5-trimethoxyphenyl)acrylate 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%

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) + 3,4,5-trimethoxy-benzaldehyde (86-81-7) → ethyl (E)-3-(3,4,5-trimethoxyphenyl)acrylate (1878-29-1,30273-65-5,31892-98-5)

Guidance literature:

diethoxyphosphoryl-acetic acid ethyl ester; With lithium chloride; In tetrahydrofuran; at 20 ℃; for 0.25h; Inert atmosphere;

3,4,5-trimethoxy-benzaldehyde; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; Inert atmosphere;

DOI:10.1002/chem.201502843

Reference yield: 98.8%

ethanol (64-17-5) + (E)-3,4,5-trimethoxy-cinnamic acid (20329-98-0,20329-99-1,90-50-6) → ethyl (E)-3-(3,4,5-trimethoxyphenyl)acrylate (1878-29-1,30273-65-5,31892-98-5)

Guidance literature:

With sulfuric acid; for 3h; Reflux;

DOI:10.3390/molecules23061382

Reference yield: 98.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) + ethyl (triphenylphosphoranylidene)acetate (1099-45-2) → ethyl (E)-3-(3,4,5-trimethoxyphenyl)acrylate (1878-29-1,30273-65-5,31892-98-5)

Guidance literature:

In dichloromethane; Inert atmosphere;

DOI:10.1002/ejoc.201501009

upstream raw materials:

diethoxyphosphoryl-acetic acid ethyl ester

3,4,5-trimethoxy-benzaldehyde

ethanol

malonic acid

Downstream raw materials:

2,2,5,5-tetramethyl-4-(3,4,5-trimethoxyphenylmethyl)hexan-3-one

ethyl 4,4-dimethyl-3-(3,4,5-trimethoxyphenyl)pentanoate

ethyl 3,3-dimethyl-2-(3,4,5-trimethoxyphenylmethyl)butanoate

4-ethyl 3-methyl rel-(3R,4S,5S)-2-oxo-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate