2-methyl-3-(4-methylphenyl)propanoic Acid

Base Information

• Chemical Name: 2-methyl-3-(4-methylphenyl)propanoic Acid
• CAS No.: 1012-15-3
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.231
• European Community (EC) Number: 958-957-3
• Mol file: 1012-15-3.mol

Synonyms:2-methyl-3-(4-methylphenyl)propanoic Acid;1012-15-3;SCHEMBL1716550;ZJBQYRLHEYPLEL-UHFFFAOYSA-N;2-Methyl-3-p-tolyl-propionic acid;BAA01215;AKOS000345371;AKOS016050877;2-methyl-3-(4-methylphenyl)propanoicAcid;3-(4-methylphenyl)-2-methylpropionic acid;CS-0232699;EN300-128188;Z513658700

Chemical Property of 2-methyl-3-(4-methylphenyl)propanoic Acid

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-3-(4-methylphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CC(C)C(=O)O

Technology Process of 2-methyl-3-(4-methylphenyl)propanoic Acid

There total 17 articles about 2-methyl-3-(4-methylphenyl)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: 51.0%

4-tolyl iodide (624-31-7) + isobutyric Acid (79-31-2) → α-methyl-β-(4-methylphenyl)propionic acid (1012-15-3)

Guidance literature:

With disodium phosphate heptahydrate; N-acetyl-β-alanine; palladium diacetate; silver(l) oxide; at 20 - 80 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201705449

Reference yield:

p-allyltoluene (3333-13-9) + benzene-1,3,5-triyl triformate → (RS)-2-(p-tolyl)butyric acid (73853-94-8,89186-02-7,89254-41-1,68692-82-0) + α-methyl-β-(4-methylphenyl)propionic acid (1012-15-3) + 4-(4-methylphenyl)butyric acid (4521-22-6)

Guidance literature:

With formic acid; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; at 100 ℃; Overall yield = 78.7 mg; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b02047

Reference yield:

2-methyl-3-p-tolylacrylic acid (25860-59-7) → α-methyl-β-(4-methylphenyl)propionic acid (1012-15-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; for 24h; under 7600.51 Torr;

DOI:10.1016/j.ejmech.2013.01.012

upstream raw materials:

4'-methylisobutyrophenone

methyl-(4-methyl-benzyl)-malonic acid

diethyl 2-methyl-2-(4-methylbenzyl)malonate

2-methyl-3-(4-methylphenyl)propanal

Downstream raw materials:

C₂₃H₂₄O₂

2-methyl-3-p-tolyl-propionyl chloride

2,6-dimethylindan-1-one

Refernces

• 1、 -. "Preparation method for indanone compound". . . Retrieved 2018/08/28.
• 2、 Wang, Zhi-Gang,Chen, Liqun,Chen, Jiebo,Zheng, Jian-Feng,Gao, Weiwei,Zeng, Zhiping,Zhou, Hu,Zhang, Xiao-Kun,Huang, Pei-Qiang,Su, Ying. "Synthesis and SAR study of modulators inhibiting tRXRα-dependent AKT activation". . p. 632 - 648. Retrieved 2013/05/09.