3-(2,3,4-Trimethoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(2,3,4-Trimethoxyphenyl)propanoic acid
• CAS No.: 33130-04-0
• Molecular Formula: C12H16O5
• Molecular Weight: 240.256
• Hs Code.: 2918990090
• European Community (EC) Number: 251-389-0
• DSSTox Substance ID: DTXSID50186787
• Nikkaji Number: J236.505G
• Wikidata: Q83058178
• Mol file: 33130-04-0.mol

Synonyms:3-(2,3,4-Trimethoxyphenyl)propanoic acid;33130-04-0;3-(2,3,4-Trimethoxyphenyl)propionic acid;Benzenepropanoic acid, 2,3,4-trimethoxy-;EINECS 251-389-0;AI3-38430;3-(2,3,4-Trimethoxyphenyl)propanoicacid;SCHEMBL490405;QOPNYPCVRBRZOP-UHFFFAOYSA-;DTXSID50186787;MFCD00002773;AKOS000187818;AS-75741;beta-(2,3,4-Trimethoxyphenyl)propionic acid;CS-0072692;FT-0702542;3-(2,3,4-Trimethoxyphenyl)propanoic acid #;EN300-51145;D94842;.beta.-(2,3,4-Trimethoxy phenyl)propionic acid;3-(2,3,4-trimethoxyphenyl)propionic acid, AldrichCPR;1H-1,2,3-TRIAZOLE-4-CARBOXYLICACID,ETHYLESTER;F9995-0961;Z317037946

Chemical Property of 3-(2,3,4-Trimethoxyphenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 6.99E-06mmHg at 25°C
• Melting Point: 70-73℃
• Refractive Index: 1.515
• Boiling Point: 362.3 °C at 760 mmHg
• Flash Point: 134.8 °C
• PSA: 64.99000
• Density: 1.169 g/cm³
• LogP: 1.72960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 240.09977361
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

98%min ^*data from raw suppliers

3-(2,3,4-Trimethoxyphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2,3,4-Trimethoxyphenyl)propanoic acid

There total 6 articles about 3-(2,3,4-Trimethoxyphenyl)propanoic acid 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%

trans-2,3,4-trimethoxycinnamic acid (116406-19-0) → 3-(2,3,4-trimethoxy-phenyl)-propionic acid (33130-04-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; ethyl acetate; for 18h;

Reference yield: 96.0%

3-(2,3,4-trimethoxyphenyl)acrylic acid (33130-03-9) → 3-(2,3,4-trimethoxy-phenyl)-propionic acid (33130-04-0)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 50 ℃; for 4h; under 9000.9 Torr;

DOI:10.1039/c5ra14888j

Reference yield:

2,3,4-trimethoxybenzaldehyde (2103-57-3) → 3-(2,3,4-trimethoxy-phenyl)-propionic acid (33130-04-0)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine; pyridine

2: aq. NaOH solution; sodium-amalgam

With piperidine; pyridine; sodium hydroxide; sodium amalgam;

upstream raw materials:

trans-2,3,4-trimethoxycinnamic acid

ethyl acetate

2,3,4-trimethoxybenzaldehyde

1,2,3-trimethoxybenzene

Downstream raw materials:

3-(2,3,4-trimethoxy-phenyl)-propionic acid ethyl ester

4,5,6-trimethoxy-1-indanone

methyl 3-(2,3,4-trimethoxyphenyl)propionate

2,6-dimethoxy-5-(2-carbomethoxyethyl)-1,4-benzoquinone

Refernces

• 1、 Chen, Jie,Yan, Jun,Hu, Jinhui,Pang, Yanqing,Huang, Ling,Li, Xingshu. "Synthesis, biological evaluation and mechanism study of chalcone analogues as novel anti-cancer agents". . p. 68128 - 68135. Retrieved 2015/08/24.
• 2、 -. "Efficient Method for Preparing Functionalized Benzosuberenes". Page/Page column 11-12. . Retrieved 2012/06/01.