3-Bromophenylmethylsulfoxide

Base Information

• Chemical Name: 3-Bromophenylmethylsulfoxide
• CAS No.: 29959-92-0
• Molecular Formula: C7H7BrOS
• Molecular Weight: 219.102
• European Community (EC) Number: 869-710-3
• DSSTox Substance ID: DTXSID90591876
• Nikkaji Number: J380.979J
• Mol file: 29959-92-0.mol

Synonyms:29959-92-0;3-Bromophenylmethylsulfoxide;1-bromo-3-methylsulfinylbenzene;1-BROMO-3-METHANESULFINYLBENZENE;1-bromo-3-(methylsulfinyl)benzene;Benzene, 1-bromo-3-(methylsulfinyl)-;SCHEMBL513923;3-Bromophenyl methyl sulfoxide;DTXSID90591876;1-bromo-3-methanesulfinyl-benzene;FAGYVSVOUYMGTM-UHFFFAOYSA-N;1-Bromo-3-(methanesulfinyl)benzene;BS-32237;DB-111234;C91518;EN300-1267331;A913597

Chemical Property of 3-Bromophenylmethylsulfoxide

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 217.94010
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromophenylmethylsulfoxide

There total 3 articles about 3-Bromophenylmethylsulfoxide 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%

3-bromo-1-(methylthio)benzene (33733-73-2) → 1-bromo-3-methanesulfinyl-benzene (29959-92-0)

Guidance literature:

With 1,3-dimethylalloxan; dihydrogen peroxide; magnesium sulfate; In dichloromethane; at 25 ℃; for 0.5h;

DOI:10.1021/acscatal.9b04508

Reference yield:

3-bromo-1-(methylthio)benzene (33733-73-2) → 1-bromo-3-methanesulphonylbenzene (34896-80-5) + 1-bromo-3-methanesulfinyl-benzene (29959-92-0)

Guidance literature:

With tert.-butylhydroperoxide; [((S,S)-N,N'-bis(3,5-di-tert-butylsalicylidene)cyclohexane-1,2-diamine)Ti(ReO4)2](μ-O); In dichloromethane; at 20 ℃; for 2h; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.ica.2012.12.020

Reference yield:

3-bromo-1-(methylthio)benzene (33733-73-2) → 1-bromo-3-methanesulfinyl-benzene (29959-92-0) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With thallium(III) acetate; In sulfuric acid; acetic acid; at 40 ℃; Thermodynamic data; Rate constant; Kinetics; ΔH(excit), ΔS(excit), other temperatures;

upstream raw materials:

3-bromo-1-(methylthio)benzene

Downstream raw materials:

1-bromo-3-methanesulphonylbenzene

(R)-3-hydroxy-2-(3-methylsulfinylphenylamino)propionic acid

(S)-3-hydroxy-2-(3-methylsulfinylphenylamino)propionic acid

C₉H₁₁NO₃S

Refernces

• 1、 Amri, Nasser,Wirth, Thomas. "Flow Electrosynthesis of Sulfoxides, Sulfones, and Sulfoximines without Supporting Electrolytes". . p. 15961 - 15972. Retrieved 2021/07/20.
• 2、 Zhu, Ting-Ting,Tao, Yu-Tong,Sun, Yue,Wang, Xue,Zhang, Xiao-Wen,Chai, Jia-Lu,Han, Jie,Zhao, Xiao-Li,Chen, Xu-Dong. "Lanthanide complexes based on an anthraquinone derivative ligand and applications as photocatalysts for visible-light driving photooxidation reactions". . . Retrieved 2021/04/05.