Benzeneethanethioic acid

Base Information

• Chemical Name: Benzeneethanethioic acid
• CAS No.: 62167-00-4
• Molecular Formula: C8H8OS
• Molecular Weight: 152.217
• DSSTox Substance ID: DTXSID60274487
• Nikkaji Number: J1.457.213I
• Wikidata: Q82003837
• Mol file: 62167-00-4.mol

Synonyms:PHENYLTHIOACETIC ACID;benzeneethanethioic acid;62167-00-4;2-phenylthioacetic acid;benzylthiocarboxylic acid;SCHEMBL698265;DTXSID60274487;IXOFPUCWZCAFJX-UHFFFAOYSA-N;AKOS006324069

Chemical Property of Benzeneethanethioic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.02958605
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzeneethanethioic acid

There total 9 articles about Benzeneethanethioic 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:

thiophenol (108-98-5) → DL-2-phenylthioacetic acid (62167-00-4)

Guidance literature:

With sodium hydroxide; sodium bromide; N-benzyl-N,N,N-triethylammonium chloride; chloroacetic acid; In tetrahydrofuran;

Reference yield:

S‐trityl 2‐phenylethanethioate → DL-2-phenylthioacetic acid (62167-00-4)

Guidance literature:

With dimethylethylsilane; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1002/chem.202002542

Reference yield:

phenylacetyl chloride (103-80-0) → phenylthioacetic acid (62167-00-4)

Guidance literature:

With sodium hydrogensulfide;

upstream raw materials:

thiophenol

phenylacetyl chloride

phenyl-thioacetic acid O-ethyl ester

1-(morpholin-4-yl)-2-phenylethanethione

Downstream raw materials:

3-phenylethanoic dithioperoxyanhydride

ethyl 5-benzylthiazole-4-carboxylate

methyl 5-benzylthiazole-4-carboxylate

2,N-diphenylacetamide

Refernces

• 1、 McCourt, Ruairí O.,Scanlan, Eoin M.. "Atmospheric Oxygen Mediated Radical Hydrothiolation of Alkenes". supporting information. p. 15804 - 15810. Retrieved 2020/10/26.
• 2、 Moghaddam, Firouz Matloubi,Ghaffarzadeh, Mohammad,Dakamin, Mohammad G.. "Microwave assisted Willgerodt-Kindler reaction of styrenes". . p. 228 - 229. Retrieved 2007/10/03.