(Phenylmethanesulfinyl)acetic acid

Base Information

• Chemical Name: (Phenylmethanesulfinyl)acetic acid
• CAS No.: 28203-54-5
• Molecular Formula: C9H10O3S
• Molecular Weight: 198.243
• DSSTox Substance ID: DTXSID70562342
• Mol file: 28203-54-5.mol

Synonyms:28203-54-5;(Phenylmethanesulfinyl)acetic acid;benzylsulfinylacetic acid;SCHEMBL3236978;DTXSID70562342

Chemical Property of (Phenylmethanesulfinyl)acetic acid

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 198.03506535
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (Phenylmethanesulfinyl)acetic acid

There total 5 articles about (Phenylmethanesulfinyl)acetic 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: 89.0%

S-benzylmercaptoacetic acid (103-46-8) → 2-(benzylsulfinyl)acetic acid (28203-54-5)

Guidance literature:

With 1,9-diperoxynonanedioic acid; In acetonitrile; at 30 - 32 ℃; for 0.2h;

DOI:10.1039/c5nj02616d

Reference yield:

sodium thiophenolate (930-69-8) + benzyl chloride (100-44-7) + mercaptoacetic acid (68-11-1) + methyl chloroacetate (96-34-4) → 2-(benzylsulfinyl)acetic acid (28203-54-5)

Guidance literature:

With dihydrogen peroxide; In methanol; acetone; (phenylsulfinyl)acetic acid;

Reference yield:

benzyl alcohol (100-51-6,185532-71-2) → 2-(benzylsulfinyl)acetic acid (28203-54-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HCl

2: acetone; aqueous H₂O₂

With hydrogenchloride; dihydrogen peroxide; acetone;

DOI:10.1021/ja01850a513

upstream raw materials:

S-benzylmercaptoacetic acid

benzyl alcohol

sodium thiophenolate

benzyl chloride

Downstream raw materials:

benzylsulfanyl-hydroxy-acetic acid

dibenzyl disulphide

bis-benzylsulfanyl-acetic acid

E-acetic acid 2-acetoxy-4-[2-(phenylmethanesulfinyl)vinyl]phenyl ester