3-(3,4,5-Trimethoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(3,4,5-Trimethoxyphenyl)propanoic acid
• CAS No.: 25173-72-2
• Molecular Formula: C12H16 O5
• Molecular Weight: 240.256
• Hs Code.: 2918990090
• European Community (EC) Number: 246-706-4
• NSC Number: 169988
• DSSTox Substance ID: DTXSID60179842
• Nikkaji Number: J236.076D
• Wikidata: Q27225779
• Metabolomics Workbench ID: 44283
• ChEMBL ID: CHEMBL484645
• Mol file: 25173-72-2.mol

Synonyms:25173-72-2;3-(3,4,5-Trimethoxyphenyl)propanoic acid;3-(3,4,5-Trimethoxyphenyl)propionic acid;Benzenepropanoic acid, 3,4,5-trimethoxy-;3,4,5-trimethoxydihydrocinnamic acid;3,4,5-Trimethoxyhydrocinnamic acid;3,4,5-Trimethoxyphenylpropionic acid;3,4,5-Trimethoxybenzenepropanoic acid;CHEBI:583580;EINECS 246-706-4;NSC 169988;3,4,5-trimethoxy-benzenepropanoic acid;AI3-38431;NSC169988;Maybridge1_005958;Oprea1_083965;SCHEMBL429622;CHEMBL484645;MEGxp0_002067;ACon1_001226;HMS558G18;DTXSID60179842;BBL003400;CCG-52269;MFCD00002775;STK803112;AKOS000119417;DS-6653;HY-W022390;NSC-169988;Benzenepropanoic acid,3,4,5-trimethoxy-;NCGC00169556-01;3-(3,4,5-Trimethoxyphenyl)propionicacid;3-(3,4,5-trimethoxyphenyl) propionic acid;CS-0041622;FT-0613601;3-(3,4,5-Trimethoxy-phenyl)-propionic acid;beta-(3,4,5-Trimethoxy phenyl)propionic acid;EN300-17346;3-(3',4',5'-trimethoxyphenyl)propionic acid;beta -(3,4,5-Trimethoxy phenyl)propionic acid;D78077;.beta.-(3,4,5-Trimethoxy phenyl)propionic acid;A817683;3-(3,4,5-Trimethoxyphenyl)propionic acid, >=98%;J-015850;SR-01000641513-1;BRD-K95734889-001-01-9;Q27225779;Z56922108;NCGC00169556-02!3-(3,4,5-trimethoxyphenyl)propanoic acid

Chemical Property of 3-(3,4,5-Trimethoxyphenyl)propanoic acid

Chemical Property:

• Appearance/Colour: almost white powder
• Vapor Pressure: 3.1E-06mmHg at 25°C
• Melting Point: 100-104 °C(lit.)
• Refractive Index: 1.5140 (estimate)
• Boiling Point: 373.3 °C at 760 mmHg
• PKA: 4.70±0.10(Predicted)
• Flash Point: 139.9 °C
• PSA: 64.99000
• Density: 1.169 g/cm³
• LogP: 1.72960
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: methanol: 0.1 g/mL, clear
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 240.09977361
• Heavy Atom Count: 17
• Complexity: 229

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(3,4,5-Trimethoxyphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CCC(=O)O

Technology Process of 3-(3,4,5-Trimethoxyphenyl)propanoic acid

There total 24 articles about 3-(3,4,5-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%

(E)-3,4,5-trimethoxy-cinnamic acid (20329-98-0,20329-99-1,90-50-6) → 3-(3,4,5-trimethoxyphenyl)propanoic acid (25173-72-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; ethyl acetate; Reagent/catalyst;

DOI:10.1021/acs.joc.5b01776

Reference yield: 100.0%

3-(3,4,5-trimethoxyphenyl)propionic acid ethyl ester (70311-20-5) → 3-(3,4,5-trimethoxyphenyl)propanoic acid (25173-72-2)

Guidance literature:

With water; sodium hydroxide; In methanol; for 0.333333h; Inert atmosphere;

DOI:10.3390/molecules23123057

Reference yield: 94.0%

3,4,5-trimethoxycinnamic acid (90-50-6) → 3-(3,4,5-trimethoxyphenyl)propanoic acid (25173-72-2)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In tetrahydrofuran; at 20 ℃; for 3h; under 1551.49 Torr;

DOI:10.3184/174751912X13263881939640

upstream raw materials:

ethyl trimethoxybenzoyl acetate

1-(3,4,5-trimethoxyphenyl)propan-1-one

(E)-3,4,5-trimethoxy-cinnamic acid

3-(3,4,5-trimethoxyphenyl)propionic acid ethyl ester

Downstream raw materials:

N-[2-(2-Benzyloxy-3-methoxy-phenyl)-ethyl]-3-(3,4,5-trimethoxy-phenyl)-propionamide

N-Methyl-N-((1R,2S)-2-pyrrolidin-1-yl-cyclohexyl)-3-(3,4,5-trimethoxy-phenyl)-propionamide

1-(3-(3,4,5-Trimethoxyphenyl)propanoyl)-4-(pyridin-3-ylcyanomethyl)-piperazine

2-piperonyl-3-(3,4,5-trimethoxy-benzyl)-succinic acid

Refernces

• 1、 Damodar, Kongara,Jeon, Sung Ho,Lee, Jeong Tae,Shin, Sooyong. "First synthesis of tabamides A–C and their derivatives: In vitro nitric oxide inhibitory activity". supporting information. . Retrieved 2021/11/10.
• 2、 Wu, Tiandi,Nguyen, Bichlien H.,Daugherty, Michael C.,Moeller, Kevin D.. "Paired Electrochemical Reactions and the On-Site Generation of a Chemical Reagent". supporting information. p. 3562 - 3565. Retrieved 2019/02/20.