Benzene, (cyclopropylsulfinyl)-

Base Information

• Chemical Name: Benzene, (cyclopropylsulfinyl)-
• CAS No.: 50337-59-2
• Molecular Formula: C9H10OS
• Molecular Weight: 166.244
• DSSTox Substance ID: DTXSID30453363
• Nikkaji Number: J1.036.452C
• Mol file: 50337-59-2.mol

Synonyms:Benzene, (cyclopropylsulfinyl)-;50337-59-2;Cyclopropylphenyl sulfoxide;cyclopropyl phenyl sulfoxide;SCHEMBL1196104;DTXSID30453363

Chemical Property of Benzene, (cyclopropylsulfinyl)-

Chemical Property:

• PSA: 36.28000
• LogP: 2.82230
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.04523611
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC1S(=O)C2=CC=CC=C2

Technology Process of Benzene, (cyclopropylsulfinyl)-

There total 5 articles about Benzene, (cyclopropylsulfinyl)- 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: 99.0%

cyclopropylphenylsulfide (14633-54-6) → cyclopropyl phenyl sulfoxide (50337-59-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1016/j.tet.2006.01.080

Reference yield: 62.0%

cyclopropylphenylsulfide (14633-54-6) → (cyclopropylsulfonyl)benzene (17637-57-9) + cyclopropyl phenyl sulfoxide (50337-59-2)

Guidance literature:

With oxygen; 4C₂₄H₂₀P⁽¹⁺⁾*2H⁽¹⁺⁾*V₁₀O₂₈^(6-); In water; butanone; at 30 ℃; for 3.5h; under 760.051 Torr; Irradiation; Schlenk technique;

DOI:10.1039/d0gc01500h

Reference yield: 62.0%

3-Chloropropyl Phenyl Sulfoxide (13033-58-4) + benzaldehyde (100-52-7) → C16H16O2S + C16H16O2S + cyclopropyl phenyl sulfoxide (50337-59-2)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at -50 ℃; optical yield given as %de; diastereoselective reaction; Inert atmosphere;

DOI:10.1021/jo1002196

upstream raw materials:

cyclopropylphenylsulfide

3-Chloropropyl Phenyl Sulfoxide

benzaldehyde

thiophenol

Downstream raw materials:

(1-Octyl-cyclopropanesulfinyl)-benzene

1-(1-Benzenesulfinyl-cyclopropyl)-cyclohexanol

Cyclopropyl(dimethylamino)phenyloxosulfonium tetrafluoroborate

1-(1-Phenylsulfanyl-cyclopropyl)-pentan-1-ol

Refernces

• 1、 Li, Jin-Heng,Li, Yang,Sun, Qing,Xue, Qi,Zhang, Ting-Ting. "Electrochemical oxygenation of sulfides with molecular oxygen or water: Switchable preparation of sulfoxides and sulfones". supporting information. p. 10314 - 10318. Retrieved 2021/12/17.
• 2、 Ma, Lina,Zhou, Hua,Xu, Ming,Hao, Peipei,Kong, Xianggui,Duan, Haohong. "Integrating hydrogen production with anodic selective oxidation of sulfides over a CoFe layered double hydroxide electrode". . p. 938 - 945. Retrieved 2021/02/06.