2-[(4-Methylphenyl)thio]propanoic acid

Base Information

• Chemical Name: 2-[(4-Methylphenyl)thio]propanoic acid
• CAS No.: 17431-98-0
• Molecular Formula: C10H11O2S-
• Molecular Weight: 196.27
• Hs Code.: 2930909090
• European Community (EC) Number: 866-518-1
• Nikkaji Number: J2.968.101E
• Mol file: 17431-98-0.mol

Synonyms:17431-98-0;2-[(4-methylphenyl)thio]propanoic acid;2-(4-methylphenyl)sulfanylpropanoic Acid;2-[(4-methylphenyl)sulfanyl]propanoic acid;Propanoic acid, 2-[(4-methylphenyl)thio]-;2-(p-Tolylthio)propanoic acid;(2R)-2-(4-methylphenyl)sulfanylpropanoate;2-(p-Tolylthio)propanoicacid;SCHEMBL11574943;2-(p-Tolylsulfanyl)propanoic acid;MFCD06380365;AKOS000264494;AKOS017268696;VS-00653;CS-0224657;EN300-12035;Z56278800

Chemical Property of 2-[(4-Methylphenyl)thio]propanoic acid

Chemical Property:

• Vapor Pressure: 7.84E-05mmHg at 25°C
• Melting Point: 77.5-78.5 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 328.1°Cat760mmHg
• PKA: 3.76±0.10(Predicted)
• Flash Point: 152.2°C
• PSA: 62.60000
• Density: 1.19g/cm³
• LogP: 2.56020
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 196.05580079
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

98%Min ^*data from raw suppliers

2-[(4-Methylphenyl)thio]propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-[(4-Methylphenyl)thio]propanoic acid

There total 2 articles about 2-[(4-Methylphenyl)thio]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: 33.0%

2-Bromopropionic acid (598-72-1,10327-08-9) + para-thiocresol (106-45-6) → 2-<(4-methylphenyl)thio>propionic acid (17431-98-0)

Guidance literature:

With sodium hydroxide; In water; at 140 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1002/chem.202001108

Reference yield:

di(4-methyl)phenylthiosulfonate (2943-42-2) → 2-<(4-methylphenyl)thio>propionic acid (17431-98-0)

Guidance literature:

With sodium ethanolate; nachfolgend Hydrolyse;

Reference yield: 85.0%

2-<(4-methylphenyl)thio>propionic acid (17431-98-0) + bis(1-naphthyl)methanol (62784-66-1) + benzoic acid anhydride (93-97-0) → PhCO2CH(1-Np)2 (1187669-93-7) + C31H26O2S (1312997-38-8)

Guidance literature:

2-<(4-methylphenyl)thio>propionic acid; benzoic acid anhydride; With N-ethyl-N,N-diisopropylamine; In ⁽²⁾H₈-toluene; at 20 ℃; for 0.0833333h;

bis(1-naphthyl)methanol; With 2-phenyl-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine; In ⁽²⁾H₈-toluene; at 20 ℃; for 24h;

DOI:10.1002/chem.201101028

upstream raw materials:

2-Bromopropionic acid

para-thiocresol

di(4-methyl)phenylthiosulfonate

Downstream raw materials:

α-((4-Methylphenyl)thio)propanoyl chloride

PhCO₂CH(1-Np)2

C₃₁H₂₆O₂S

C₂₁H₃₀N₂O₆S₂

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 17431-98-0 2-[(4-METHYLPHENYL)THIO]PROPANOIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send