3-(2,4-dimethylphenyl)propanoic Acid

Base Information

• Chemical Name: 3-(2,4-dimethylphenyl)propanoic Acid
• CAS No.: 1811-85-4
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2916399090
• European Community (EC) Number: 823-887-3
• DSSTox Substance ID: DTXSID70397631
• Nikkaji Number: J546.091C
• Wikidata: Q82199140
• Mol file: 1811-85-4.mol

Synonyms:3-(2,4-dimethylphenyl)propanoic Acid;1811-85-4;3-(2,4-DIMETHYLPHENYL)PROPIONIC ACID;Benzenepropanoic acid, 2,4-dimethyl-;SCHEMBL324789;DTXSID70397631;KNPUGELUZIPXCW-UHFFFAOYSA-N;BAA81185;3-(2,4-dimethylphenyl)propanoicAcid;MFCD00796498;AKOS000206695;3-(2,4-Dimethylphenyl)-propionic Acid;3-(2,4-dimethyl-phenyl)-propionic acid;NCGC00337408-01;3-(2',4'-Dimethylphenyl)propionic acid;BS-52021;CS-0196896;FT-0667521;EN300-25325;F52910;AB01330448-02;Z203050914

Chemical Property of 3-(2,4-dimethylphenyl)propanoic Acid

Chemical Property:

• Vapor Pressure: 0.000276mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 309.4°C at 760 mmHg
• Flash Point: 206.5°C
• PSA: 37.30000
• Density: 1.074g/cm³
• LogP: 2.32060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

98%min ^*data from raw suppliers

3-(2,4-Dimethylphenyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)CCC(=O)O)C
• Uses: 3-(2,4-Dimethylphenyl)propionic Acid 3-(2,4-Dimethylphenyl)propionic Acid is used in the preparation of antifeedants for pine weevil. It may be a potential delivery agents for biologically active compounds

Technology Process of 3-(2,4-dimethylphenyl)propanoic Acid

There total 32 articles about 3-(2,4-dimethylphenyl)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: 97.0%

3-(2,4-Dimethylphenyl)-propensaeure (1685-80-9) → 3-(2,4-dimethylphenyl)propionic acid (1811-85-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In 1,4-dioxane; under 517.1 - 1551.4 Torr;

DOI:10.1007/BF00807400

Reference yield: 94.0%

(E)-ethyl 3-(2,4-dimethylphenyl)acrylate (61052-15-1) → 3-(2,4-dimethylphenyl)propionic acid (1811-85-4)

Guidance literature:

(E)-ethyl 3-(2,4-dimethylphenyl)acrylate; With hydrogen; In ethanol; at 20 ℃;

With water; sodium hydroxide; In tetrahydrofuran; methanol; at 20 ℃;

With hydrogenchloride; In water;

Reference yield: 74.0%

formic acid (64-18-6) + 2,4-dimethylstyrene (2234-20-0) → 3-(2,4-dimethylphenyl)propionic acid (1811-85-4)

Guidance literature:

With tris(o-methoxyphenyl)phosphine; palladium diacetate; acetic anhydride; In toluene; at 80 ℃; for 36h; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.7b00507

upstream raw materials:

3-(2,4-Dimethylphenyl)-propensaeure

3-(2,4-dimethylphenyl)propanenitrile

N-(2,4-dimethyl-phenyl)-succinamic acid

sodium ethanolate

Downstream raw materials:

methyl 3-(2,4-dimethylphenyl)propanoate

4,6-dimethylindane

5,7-dimethyl-1H-indene

3-(2,4-dimethyl-phenyl)-propionyl chloride

Refernces

• 1、 Liu, Wei,Ren, Wenlong,Li, Jingfu,Shi, Yuan,Chang, Wenju,Shi, Yian. "A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid". supporting information. p. 1748 - 1751. Retrieved 2017/04/11.
• 2、 -. "CARBOXYLIC ACID COMPOUND". . . Retrieved 2011/04/14.