Benzene, 1-chloro-2-[(S)-methylsulfinyl]-

Base Information

• Chemical Name: Benzene, 1-chloro-2-[(S)-methylsulfinyl]-
• CAS No.: 172338-47-5
• Molecular Formula: C7H7ClOS
• Molecular Weight: 174.651
• DSSTox Substance ID: DTXSID00449172
• Wikidata: Q82268555
• Mol file: 172338-47-5.mol

Synonyms:Benzene, 1-chloro-2-[(S)-methylsulfinyl]-;172338-47-5;DTXSID00449172

Chemical Property of Benzene, 1-chloro-2-[(S)-methylsulfinyl]-

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.9906137
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)C1=CC=CC=C1Cl
• Isomeric SMILES: C[S@](=O)C1=CC=CC=C1Cl

Technology Process of Benzene, 1-chloro-2-[(S)-methylsulfinyl]-

There total 13 articles about Benzene, 1-chloro-2-[(S)-methylsulfinyl]- 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%

2-chlorothioanisole (17733-22-1) → (R)-(+)-2-chlorophenyl methyl sulfoxide (172338-47-5)

Guidance literature:

With (R,R,aR,aR)-[RuCl(NO)((CH₃)2C₆H₈(NCHC₁₀H₅(O)C₁₀H₆Ph)2)]; water; oxygen; In ethyl acetate; at 25 ℃; for 48h; optical yield given as %ee; enantioselective reaction; Visible light irradiation;

DOI:10.1021/ja104184r

Reference yield: 75.0%

methyl magnesium iodide (917-64-6) + (SS,1R,2S,5R)-(-)-1-(2-chlorophenylsulfinyloxy)-2-isopropyl-5-methylcyclohaxane (243143-03-5) → (R)-(+)-2-chlorophenyl methyl sulfoxide (172338-47-5)

Guidance literature:

In diethyl ether; benzene; Ambient temperature;

DOI:10.1016/S0957-4166(99)00078-6

Reference yield:

2-chlorothioanisole (17733-22-1) → (R)-(+)-o-chlorophenyl methyl sulfoxide (7321-57-5,139696-88-1,141195-18-8) + (R)-(+)-2-chlorophenyl methyl sulfoxide (172338-47-5)

Guidance literature:

With dihydrogen peroxide; In water; at 25 ℃; for 0.0833333h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; chloroperoxidase (CPO), citrate buffer pH 5;

DOI:10.1016/S0957-4166(00)82316-2

upstream raw materials:

2-chlorothioanisole

methyl magnesium iodide

(SS,1R,2S,5R)-(-)-1-(2-chlorophenylsulfinyloxy)-2-isopropyl-5-methylcyclohaxane

2-chlorophenyl methyl sulfoxide