1-Bromo-3-(methylsulfonyl)benzene

Base Information

• Chemical Name: 1-Bromo-3-(methylsulfonyl)benzene
• CAS No.: 34896-80-5
• Molecular Formula: C7H7BrO2S
• Molecular Weight: 235.101
• Hs Code.: 29309090
• European Community (EC) Number: 639-429-9
• DSSTox Substance ID: DTXSID50188448
• Nikkaji Number: J757.810E
• Mol file: 34896-80-5.mol

Synonyms:34896-80-5;1-Bromo-3-(methylsulfonyl)benzene;3-bromophenyl methyl sulfone;3-Bromophenyl Methyl Sulphone;3-Bromophenylmethylsulfone;1-bromo-3-methylsulfonylbenzene;3-Bromo phenyl methyl sulfone;Benzene, 1-bromo-3-(methylsulfonyl)-;1-bromo-3-methanesulfonylbenzene;m-Bromo(methylsulfonyl)benzene;3-bromophenylmethyl sulfone;MFCD03095326;1-bromo-3-mesylbenzene;3-bromophenyl-methyl sulfone;Methyl 3-bromophenyl sulfone;SCHEMBL265696;3-bromo-methanesulfonyl benzene;1-bromo-3-methylsulfonyl-benzene;DTXSID50188448;1-bromo-3-methanesulfonyl benzene;1-bromo-3-methanesulfonyl-benzene;WBOMXUMQOVQNKT-UHFFFAOYSA-N;BCP19786;STR08197;AKOS015835430;PS-4973;AC-10776;SY009420;B3893;CS-0044122;FT-0615114;EN300-88840;J-512122

Chemical Property of 1-Bromo-3-(methylsulfonyl)benzene

Chemical Property:

• Vapor Pressure: 3.93E-05mmHg at 25°C
• Melting Point: 100-104°C
• Refractive Index: 1.563
• Boiling Point: 362.8 °C at 760 mmHg
• Flash Point: 173.2 °C
• PSA: 42.52000
• Density: 1.595g/cm³
• LogP: 2.93340
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.93501
• Heavy Atom Count: 11
• Complexity: 217

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromophenyl Methyl Sulfone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-3-(methylsulfonyl)benzene

There total 19 articles about 1-Bromo-3-(methylsulfonyl)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%

→ (E)-1-Benzyl-4-[2-(3-methanesuphonylphenyl)ethenyl]-1,2,3.6-tetrahydropyridine + 1-bromo-3-methanesulphonylbenzene (34896-80-5)

Guidance literature:

Reference yield: 97.0%

3-bromo-1-(methylthio)benzene (33733-73-2) → 1-bromo-3-methanesulphonylbenzene (34896-80-5)

Guidance literature:

3-bromo-1-(methylthio)benzene; With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃;

With sodium thiosulfate; In dichloromethane; water;

Reference yield: 97.0%

1-bromo-3-methanesulfinyl-benzene (29959-92-0) → 1-bromo-3-methanesulphonylbenzene (34896-80-5)

Guidance literature:

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

upstream raw materials:

3-bromo-1-(methylthio)benzene

1-bromo-3-methanesulfinyl-benzene

dimethyl sulfate

(3-bromophenyl)boronic acid

Downstream raw materials:

1-[3-(methylsulfonyl)phenyl]-1,4-diazepan

3-(methylsulfonyl)benzonitrile

cis-4-(3-methanesulfonyl-phenyl)-2,6-dimethyl-1-propyl-piperazine

3-(3-Methanesulfonyl-phenyl)-pyridine; hydrochloride

Refernces

• 1、 Lian, Chen,Li, Hai-Lou,Yang, Guo-Yu. "A μ-AsO4-Bridging Hexadecanuclear Ni-Substituted Polyoxotungstate". . p. 3996 - 4003. Retrieved 2021/04/07.
• 2、 Li, Hai-Lou,Lian, Chen,Yang, Guo-Yu. "{Ti6}/{Ti10} Wheel Cluster Substituted Silicotungstate Aggregates". . p. 16852 - 16859. Retrieved 2021/11/13.