Benzene, [[(S)-ethylsulfinyl]methyl]-

Base Information

• Chemical Name: Benzene, [[(S)-ethylsulfinyl]methyl]-
• CAS No.: 70286-60-1
• Molecular Formula: C9H12OS
• Molecular Weight: 168.26
• DSSTox Substance ID: DTXSID70485183
• Mol file: 70286-60-1.mol

Synonyms:Benzene, [[(S)-ethylsulfinyl]methyl]-;70286-60-1;DTXSID70485183

Chemical Property of Benzene, [[(S)-ethylsulfinyl]methyl]-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 168.06088618
• Heavy Atom Count: 11
• Complexity: 128

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: CCS(=O)CC1=CC=CC=C1
• Isomeric SMILES: CC[S@](=O)CC1=CC=CC=C1

Technology Process of Benzene, [[(S)-ethylsulfinyl]methyl]-

There total 17 articles about Benzene, [[(S)-ethylsulfinyl]methyl]- 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: 97.0%

benzyl(ethyl)sulfane (6263-62-3) → benzyl ethyl sulfoxide (28295-59-2,67529-28-6,70286-60-1,2843-92-7)

Guidance literature:

With iron(III) chloride; periodic acid; In acetonitrile; at 20 ℃; for 0.0166667h;

DOI:10.1055/s-2002-35623

Reference yield: 95.0%

benzyl vinyl sulfoxide (73927-19-2) → (R)-benzyl vinyl sulfoxide + (R)-((ethylsulfinyl)methyl)benzene (28295-59-2) + (S)- ((ethylsulfinyl)methyl)benzene (70286-60-1)

Guidance literature:

With bis(norbornadiene)rhodium(l)tetrafluoroborate; C₅₄H₅₀O₄P₂; hydrogen; In dichloromethane; cyclohexane; at 20 ℃; for 4h; under 3750.38 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/acs.orglett.5b02139

Reference yield: 80.0%

benzyl(ethyl)sulfane (6263-62-3) → benzyl ethyl sulfone (772-47-4) + benzyl ethyl sulfoxide (28295-59-2,67529-28-6,70286-60-1,2843-92-7) + benzaldehyde (100-52-7)

Guidance literature:

With triphenylporphine; oxygen; In benzene; for 10h; Further Variations:; Reaction partners; Solvents; Kinetics; Product distribution; Irradiation;

DOI:10.1002/(SICI)1099-0690(199907)1999:7<1723::AID-EJOC1723>3.0.CO;2-R

upstream raw materials:

benzyl(ethyl)sulfane

perchloric acid

ethanol

dihydrogen peroxide

Downstream raw materials:

S-Benzyl-S-ethyl-N-(p-tolylsulfonyl)-sulfoximin

benzyl(ethyl)sulfane

α-chlorobenzyl ethyl sulfoxide

benzyl ethyl sulfone