4-METHYL PHENYL THIOACETIC ACID

Base Information

• Chemical Name: 4-METHYL PHENYL THIOACETIC ACID
• CAS No.: 3996-29-0
• Molecular Formula: C9H10 O2 S
• Molecular Weight: 182.243
• Hs Code.: 2930909090
• Mol file: 3996-29-0.mol

Synonyms:Aceticacid, (p-tolylthio)- (6CI,7CI,8CI); Acetic acid, [(4-methylphenyl)thio]- (9CI);(p-Methylphenyl)thioacetic acid; (p-Tolylthio)acetic acid; NSC 75126;S-(p-Methylphenyl)mercaptoacetic acid; [(4-Methylphenyl)thio]acetic acid

Chemical Property of 4-METHYL PHENYL THIOACETIC ACID

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Melting Point: 79-83 °C(lit.)
• Boiling Point: 323.2°Cat760mmHg
• PKA: 3.72±0.10(Predicted)
• Flash Point: 149.3°C
• PSA: 62.60000
• Density: 1.23g/cm³
• LogP: 2.17170

Purity/Quality:

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

4-Methylphenylthioacetic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 4-METHYL PHENYL THIOACETIC ACID

There total 40 articles about 4-METHYL PHENYL THIOACETIC 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: 95.0%

bromoacetic acid (79-08-3) + para-thiocresol (106-45-6) → 2-[(4-methylphenyl)thio]acetic acid (3996-29-0)

Guidance literature:

With sodium carbonate; sodium hydroxide; In ethanol; water; at 20 ℃; for 5h; Reflux;

Reference yield: 93.0%

chloroacetic acid (79-11-8) + para-thiocresol (106-45-6) → 2-[(4-methylphenyl)thio]acetic acid (3996-29-0)

Guidance literature:

With sodium hydroxide; In water; at 25 - 100 ℃; for 2h;

Reference yield: 81.0%

2-[(4-methylphenyl)sulfinyl] acetic acid (3996-42-7) → 2-[(4-methylphenyl)thio]acetic acid (3996-29-0)

Guidance literature:

With phosphorus trichloride; In acetonitrile; at 25 ℃; for 0.5h; Schlenk technique;

DOI:10.1039/c7ob02834b

upstream raw materials:

n-butyllithium

diethyl ether

4-methylphenyl methylsulfide

S-chloroacetyl-p-mercaptotoluene

Downstream raw materials:

N-<2-(p-tolylthio)ethanoyl>piperidine

methyl 2-(p-tolylthio)acetate

N-Hexyl-2-p-tolylsulfanyl-acetamide

4-methylphenyl methylsulfide

Refernces

• 1、 Grollier, Kevin,De Zordo-Banliat, Arnaud,Bourdreux, Flavien,Pegot, Bruce,Dagousset, Guillaume,Magnier, Emmanuel,Billard, Thierry. "(Trifluoromethylselenyl)methylchalcogenyl as Emerging Fluorinated Groups: Synthesis under Photoredox Catalysis and Determination of the Lipophilicity". supporting information. p. 6028 - 6033. Retrieved 2021/03/15.
• 2、 Bari, Shamsher S.,Nagpal, Reshma,Pandey, Suvidha,Thakur, Aarti,Thapar, Renu. "A highly stereoselective oxidation and an easy one pot elimination methodology for 3-allyl-3-phenylthio-β-lactams". . . Retrieved 2021/12/24.