4-Bromophenyl methyl sulfone

Base Information

• Chemical Name: 4-Bromophenyl methyl sulfone
• CAS No.: 3466-32-8
• Molecular Formula: C7H7BrO2S
• Molecular Weight: 235.101
• Hs Code.: 29309090
• European Community (EC) Number: 222-421-0
• NSC Number: 174742
• DSSTox Substance ID: DTXSID20188218
• Nikkaji Number: J145.971F
• Wikidata: Q72511048
• Mol file: 3466-32-8.mol

Synonyms:4-Bromophenyl methyl sulfone;3466-32-8;1-Bromo-4-(methylsulfonyl)benzene;Benzene, 1-bromo-4-(methylsulfonyl)-;1-bromo-4-methylsulfonylbenzene;p-Bromophenyl methyl sulfone;Methyl 4-bromophenyl sulfone;Sulfone, p-bromophenyl methyl;1-bromo-4-methanesulfonylbenzene;C7H7BrO2S;4-bromophenyl methyl sulphone;4-bromo phenyl methyl sulfone;1-Bromo-4-(methylsulphonyl)benzene;NSC 174742;EINECS 222-421-0;MFCD00025065;1-bromo-4-mesylbenzene;4-bromophenylmethyl-sulfone;4-bromophenylsulfonylmethane;4-methylsulfonylbromobenzene;TimTec1_001578;4-methylsulfonyl-bromobenzene;4-methanesulfonyl-bromobenzene;1-Brom-4-methansulfonylbenzen;SCHEMBL387826;4-(methanesulfonyl)bromobenzene;Bromo-4-methanesulfonyl benzene;1-bromo-4-methylsulfonyl benzene;DTXSID20188218;1-Bromo-4-methanesulfonyl-benzene;4-bromo-1-(methylsulfonyl)benzene;HMS1538H16;CS-B0933;4-Bromophenyl methyl sulfone, 97%;NSC174742;1-Bromo-4-(methylsulfonyl)benzene #;AKOS003342591;AB01453;NSC-174742;NCGC00174282-01;AS-15028;SY026610;AM20061174;B3148;FT-0607494;EN300-95338;AH-034/32832061;J-620021;W-106716;Z432550092

Chemical Property of 4-Bromophenyl methyl sulfone

Chemical Property:

• Appearance/Colour: white to off-white crystals
• Vapor Pressure: 0.0001mmHg at 25°C
• Melting Point: 103-107 °C(lit.)
• Refractive Index: 1.563
• Boiling Point: 348.6 °C at 760 mmHg
• Flash Point: 164.6 °C
• PSA: 42.52000
• Density: 1.595 g/cm³
• LogP: 2.93340
• Solubility.: soluble in Methanol
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.93501
• Heavy Atom Count: 11
• Complexity: 209

Purity/Quality:

98% min ^*data from raw suppliers

4-Bromophenyl methyl sulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 22-24/25-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)Br
• Uses: 4-Bromophenyl methyl sulfone may be used to synthesize:biaryl methyl sulfones5-[[-4-(methylsulfonyl)phenyl]thio]thiophene-2-sulfonamide1-[4-(methylsulfonyl)phenyl]-1H-pyrazole (Hmsppz)DuP 697 via reaction with (5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)trimethylsilane4-Bromophenyl methyl sulfone (1-bromo-4-(methylsulfonyl)benzene) can undergo coupling reaction with benzene sulfonamide in the presence of copper(I)iodide to form the corresponding N-aryl sulfonamide.

Technology Process of 4-Bromophenyl methyl sulfone

There total 46 articles about 4-Bromophenyl methyl sulfone 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) → 4-bromoohenyl methyl sulfone (3466-32-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 23 ℃; for 12h;

DOI:10.1002/chem.201703244

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: 92.0%

di-tert-butyl peroxide (110-05-4) + sodium 4-bromobenzenesulfinate (34176-08-4) → 4-bromoohenyl methyl sulfone (3466-32-8)

Guidance literature:

With water; at 110 ℃; for 12h; Sealed tube; Green chemistry;

DOI:10.1016/j.tetlet.2017.12.074

upstream raw materials:

(4-bromophenyl)thioanisole

bromobenzene

methanesulfonyl chloride

4-bromo-benzenesulfinic acid

Downstream raw materials:

2-<<4-(methulsulfonyl)phenyl>thio>thiophene

3-(4-(methylsulfonyl)phenyl)prop-2-yn-1-ol

2-(4-Methanesulfonyl-phenylsulfanyl)-benzoic acid

C₃₇H₄₅NO₆S

Refernces

• 1、 Liu, Teng,Yu, Shiwen,Shen, Xiang,Li, Yixian,Liu, Jianjun,Huang, Chao,Cheng, Feixiang. "High Chemoselectivity in the Construction of Aryl Methyl Sulfones via an Unexpected C-S Bond Formation between Sulfonylhydrazides and Dimethyl Phosphite". . p. 153 - 160. Retrieved 2021/10/04.
• 2、 Cao, Zhong-Yan,Li, Xiaolong,Lu, Hao,Wang, Panpan,Wang, Shengqiang,Xu, Xiaobo,Yan, Leyu,Yang, A-Xiu. "Selective synthesis of sulfoxides and sulfonesviacontrollable oxidation of sulfides withN-fluorobenzenesulfonimide". supporting information. p. 8691 - 8695. Retrieved 2021/10/22.