2-(4-Methylphenylthio)-2-phenylacetic acid

Base Information

• Chemical Name: 2-(4-Methylphenylthio)-2-phenylacetic acid
• CAS No.: 5219-63-6
• Molecular Formula: C15H14O2S
• Molecular Weight: 258.341
• DSSTox Substance ID: DTXSID101267379

Synonyms:5219-63-6;Benzeneacetic acid, alpha-[(4-methylphenyl)thio]-;2-(4-methylphenylthio)-2-phenylacetic acid;SCHEMBL1565683;LFVSOYPXLUGCPS-UHFFFAOYSA-N;DTXSID101267379;AKOS000200154;AKOS016050743;I+/--[(4-Methylphenyl)thio]benzeneacetic acid

Chemical Property of 2-(4-Methylphenylthio)-2-phenylacetic acid

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 258.07145086
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)O

Technology Process of 2-(4-Methylphenylthio)-2-phenylacetic acid

There total 8 articles about 2-(4-Methylphenylthio)-2-phenylacetic 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:

2-[(4-methylphenyl)thio]acetic acid (3996-29-0) → phenyl-p-tolylsulfanyl-acetic acid (5219-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / CCl₄

2: AlCl₃

With aluminium trichloride; bromine; In tetrachloromethane;

DOI:10.1021/jo01059a081

Reference yield:

methyl α-phenyl-α-(p-tolylthio)acetate (32121-42-9) → phenyl-p-tolylsulfanyl-acetic acid (5219-63-6)

Guidance literature:

With potassium hydroxide;

Reference yield:

(p-Tolylmercapto)-chloressigsaeure (90649-83-5) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → phenyl-p-tolylsulfanyl-acetic acid (5219-63-6)

Guidance literature:

With aluminium trichloride;

DOI:10.1021/jo01059a081

upstream raw materials:

MANDELIC ACID

para-thiocresol

methyl α-phenyl-α-(p-tolylthio)acetate

(p-Tolylmercapto)-chloressigsaeure

Downstream raw materials:

Phenyl-p-tolylsulfanyl-acetic acid 2-dimethylamino-ethyl ester

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