Benzene, [(S)-(1-methylethyl)sulfinyl]-

Base Information

• Chemical Name: Benzene, [(S)-(1-methylethyl)sulfinyl]-
• CAS No.: 80225-50-9
• Molecular Formula: C9H12OS
• Molecular Weight: 168.26
• DSSTox Substance ID: DTXSID20464307
• Wikidata: Q82289586
• Mol file: 80225-50-9.mol

Synonyms:Benzene, [(S)-(1-methylethyl)sulfinyl]-;80225-50-9;DTXSID20464307

Chemical Property of Benzene, [(S)-(1-methylethyl)sulfinyl]-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.06088618
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, [(S)-(1-methylethyl)sulfinyl]-

There total 35 articles about Benzene, [(S)-(1-methylethyl)sulfinyl]- 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: 85.0%

3-(isopropylsulfinyl)propionic acid tert-butyl ester (911820-11-6) + iodobenzene (591-50-4) → (R)-(isopropylsulfinyl)benzene (4170-69-8,73610-09-0,80225-50-9,34044-66-1)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; (R)-N-((1R)-(adamantan-1-yl)(5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl)methyl)-2-methylpropane-2-sulfinamide; caesium carbonate; In 1,3,5-trimethyl-benzene; at 60 ℃; for 90h; enantioselective reaction; Sealed tube; Inert atmosphere;

DOI:10.1021/jacs.8b00178

Reference yield: 60.0%

isopropyl phenyl sulfoxide (4170-69-8) → phenyl isopropyl sulfone (4238-09-9) + (R)-(isopropylsulfinyl)benzene (4170-69-8,73610-09-0,80225-50-9,34044-66-1) + (S)-isopropyl phenyl sulfoxide (80225-50-9)

Guidance literature:

With hydroquinidine-2,5-diphenyl-4,6-pyrimidinediyl diether; dihydrogen peroxide; tungsten(VI) oxide; In tetrahydrofuran; at 25 ℃; for 12h; Title compound not separated from byproducts;

DOI:10.1016/S0957-4166(02)00865-0

Reference yield: 60.0%

isopropyl phenyl sulfoxide (4170-69-8) → phenyl isopropyl sulfone (4238-09-9) + (R)-(isopropylsulfinyl)benzene (4170-69-8,73610-09-0,80225-50-9,34044-66-1) + (S)-isopropyl phenyl sulfoxide (80225-50-9)

Guidance literature:

With hydroquinidine-2,5-diphenyl-4,6-pyrimidinediyl diether; dihydrogen peroxide; tungsten(VI) oxide; In tetrahydrofuran; at 25 ℃; for 12h; Title compound not separated from byproducts;

DOI:10.1016/S0957-4166(02)00865-0

upstream raw materials:

isopropylthiobenzene

isopropyl phenyl sulfoxide

benzyl (2R,4S,5R)-4-methyl-5-phenyl-1,2,3-oxathiazolidine-2-oxide-3-carboxilate

bis(2,2’-bromophenyl) sulfoxide