2-(3-Chlorophenyl)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(3-Chlorophenyl)-2-methylpropanoic acid
• CAS No.: 64798-35-2
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2916399090
• European Community (EC) Number: 809-571-8
• DSSTox Substance ID: DTXSID70574884
• Wikidata: Q82464060
• Mol file: 64798-35-2.mol

Synonyms:2-(3-Chlorophenyl)-2-methylpropanoic acid;64798-35-2;MFCD11036925;SCHEMBL1628254;DTXSID70574884;SFXNGYPSARMRKU-UHFFFAOYSA-N;AKOS010213742;CCG-358180;KS-6793;2-(3-Chlorophenyl)-2-methylpropanoicacid;CS-0071482;EN300-81776;F2167-4975;Z725146336

Chemical Property of 2-(3-Chlorophenyl)-2-methylpropanoic acid

Chemical Property:

• Boiling Point: 292.9±15.0 °C(Predicted)
• PKA: 4.22±0.10(Predicted)
• PSA: 37.30000
• Density: 1.220±0.06 g/cm3(Predicted)
• LogP: 2.70220
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-Chlorophenyl)-2-methylpropanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Chlorophenyl)-2-methylpropanoic acid

There total 4 articles about 2-(3-Chlorophenyl)-2-methylpropanoic 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: 84.0%

→ 2-(3-chlorophenyl)-2-methylpropanoic acid (64798-35-2) + methyl 2-(3-chlorophenyl)-2-methylpropanoate (101233-58-3)

Guidance literature:

Reference yield:

2-(3-chloro-phenyl)-2-methyl-propionitrile (64798-33-0) → 2-(3-chlorophenyl)-2-methylpropanoic acid (64798-35-2)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; water; at 120 ℃;

Reference yield:

2-(3-chlorophenyl) propanoic acid (14161-84-3) + methyl iodide (74-88-4) → 2-(3-chlorophenyl)-2-methylpropanoic acid (64798-35-2)

Guidance literature:

2-(3-chlorophenyl) propanoic acid; With lithium diisopropyl amide; In tetrahydrofuran; at 45 ℃; for 1h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere; Cooling with ice;

DOI:10.1021/ja311259x

upstream raw materials:

2-(3-chloro-phenyl)-2-methyl-propionitrile

2-(3-chlorophenyl) propanoic acid

methyl iodide

Downstream raw materials:

2-(3-chloro-phenyl)-2-methyl-propionyl chloride

2-(3-chlorophenyl)-2-methylpropanal

diethyl 2-(2-(3-chlorophenyl)-2-methylpropanoyl)malonate

Refernces

• 1、 Cheng, Xiu-Fen,Li, Yan,Su, Yi-Ming,Yin, Feng,Wang, Jian-Yong,Sheng, Jie,Vora, Harit U.,Wang, Xi-Sheng,Yu, Jin-Quan. "Pd(II)-catalyzed enantioselective C-H activation/C-O bond formation: Synthesis of chiral benzofuranones". supporting information. p. 1236 - 1239. Retrieved 2013/03/14.
• 2、 -. "Process for producing an α-aromatic group substituted alkanoic acid derivative". . . Retrieved 2008/06/13.