1-Bromo-4-(methylsulfinyl)benzene

Base Information

• Chemical Name: 1-Bromo-4-(methylsulfinyl)benzene
• CAS No.: 934-71-4
• Molecular Formula: C7H7 Br O S
• Molecular Weight: 219.102
• Hs Code.: 2930909090
• European Community (EC) Number: 696-446-4
• DSSTox Substance ID: DTXSID90918463
• Nikkaji Number: J372.983D
• Mol file: 934-71-4.mol

Synonyms:1-Bromo-4-(methylsulfinyl)benzene;934-71-4;1-bromo-4-methylsulfinylbenzene;Benzene, 1-bromo-4-(methylsulfinyl)-;4-Bromophenyl methyl sulphoxide;C7H7BrOS;1-Bromo-4-(methylsulphinyl)benzene;Methyl 4-bromophenyl sulfoxide;MFCD00159074;Benzene,1-bromo-4-(methylsulfinyl)-;1-bromo-4-methanesulfinylbenzene;4-bromophenylsulfinylmethane;4-Bromophenylmethylsulfoxide;C7-H7-Br-O-S;1-Brom-4-methansulfinylbenzen;4-bromophenyl methyl sulfoxide;SCHEMBL2575115;DTXSID90918463;Methyl (4-bromophenyl) sulfoxide;MPOPDYTWAYBUOD-UHFFFAOYSA-N;1-bromo-4-methanesulfinyl-Benzene;1-Bromo-4-(methanesulfinyl)benzene;AKOS015835621;PS-4871;SY253160;CS-0096007;FT-0651007;A916983;A926180;J-620020

Chemical Property of 1-Bromo-4-(methylsulfinyl)benzene

Chemical Property:

• Vapor Pressure: 0.000635mmHg at 25°C
• Melting Point: 78-80
• Boiling Point: 319.4°Cat760mmHg
• Flash Point: 147°C
• PSA: 36.28000
• Density: 1.68g/cm³
• LogP: 3.05220
• Storage Temp.: Keep Cold
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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: 130

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-4-(methylsulfinyl)benzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-4-(methylsulfinyl)benzene

There total 19 articles about 1-Bromo-4-(methylsulfinyl)benzene 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: 100.0%

(4-bromophenyl)thioanisole (104-95-0) → 1-bromo-4-(methylsulfinyl)benzene (934-71-4)

Guidance literature:

With perpropionic acid; In ethanol; dichloromethane; at 20 ℃; for 24h;

DOI:10.1080/10426500490459740

Reference yield: 95.0%

(4-bromophenyl)thioanisole (104-95-0) → 1-bromo-4-(methylsulfinyl)benzene (934-71-4) + 4-bromoohenyl methyl sulfone (3466-32-8)

Guidance literature:

With dihydrogen peroxide; scandium tris(trifluoromethanesulfonate); In ethanol; dichloromethane; water; at 20 ℃; for 3h;

DOI:10.1021/ol026947i

Reference yield: 95.0%

1-methoxy-4-methylsulfanyl-benzene (1879-16-9) → 1-bromo-4-(methylsulfinyl)benzene (934-71-4)

Guidance literature:

With dihydrogen peroxide; molybdenium(VI) dioxodichloride; In water; acetone; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.tetlet.2006.04.153

upstream raw materials:

methyl-phenyl-thioether

(4-bromophenyl)thioanisole

nitric acid

1-methoxy-4-methylsulfanyl-benzene

Downstream raw materials:

para-methylsulfinyl α,β,β-trifluorostyrene

4-bromoohenyl methyl sulfone

1-bromo-4-(chloromethylsulfonyl)benzene

(4-Methanesulfinyl-phenyl)-p-tolyl-amine

Refernces

• 1、 Taghavi, Shaghayegh,Amoozadeh, Ali,Nemati, Firouzeh. "Deep eutectic solvent-assisted synthesis of highly efficient nanocatalyst (n-TiO2@TDI@DES (ZnCl2:urea)) for chemoselective oxidation of sulfides to sulfoxides". . . Retrieved 2020/12/21.
• 2、 Zhang, Xiaobang,Wei, Xiaomei,Huang, Sheng-Li,Yang, Guo-Yu. "Selective Photocatalytic Oxidation of Sulfides in Lanthanide Metal -Organic Frameworks Incorporating Ru(2,2′-bpy)3 photosensitizer". supporting information. p. 2031 - 2034. Retrieved 2021/07/06.