1-(Bromomethyl)-4-(methylsulfonyl)benzene

Base Information

• Chemical Name: 1-(Bromomethyl)-4-(methylsulfonyl)benzene
• CAS No.: 53606-06-7
• Molecular Formula: C8H9BrO2S
• Molecular Weight: 249.128
• Hs Code.: 29049090
• European Community (EC) Number: 679-455-8
• DSSTox Substance ID: DTXSID301347246
• Nikkaji Number: J31.918J
• Mol file: 53606-06-7.mol

Synonyms:53606-06-7;1-(bromomethyl)-4-(methylsulfonyl)benzene;4-(Methylsulfonyl)benzyl Bromide;1-(bromomethyl)-4-methanesulfonylbenzene;1-bromomethyl-4-methanesulfonyl-benzene;MFCD00185849;Benzene, 1-(bromomethyl)-4-(methylsulfonyl)-;4-(METHYLSULFONYL)BENZYLBROMIDE;1-(bromomethyl)-4-methylsulfonylbenzene;1-(Bromomethyl)-4-methylsulfonyl benzene;4-METHYLSULPHONYLBENZYL BROMIDE;4-methylsulfonylbenzyl bromide;4-methylsulfonylbenzylbromide;4-methylsulphonylbenzylbromide;p-methylsulfonylbenzyl bromide;SCHEMBL240747;4-methanesulfonylbenzyl bromide;4-methanesulphonylbenzyl bromide;1-(Bromomethyl)-4-mesylbenzene;4-methylsulphonyl benzyl bromide;HGKPAXHJTMHWAH-UHFFFAOYSA-N;DTXSID301347246;4-(methanesulfonyl)-benzyl bromide;bromomethyl-4-methanesulfonylbenzene;4-(Bromomethyl)phenyl methyl sulfone;BBL104246;STK955643;1-bromomethyl-4-methanesulfonylbenzene;AKOS003589020;CS-W002487;GS-4497;SB37555;AC-29350;SY002572;AM20120541;FT-0647643;M2474;4-(Methylsulfonyl)benzyl bromide, AldrichCPR;EN300-1602016;A829677;J-503510;1-(bromomethyl)-4-methylsulfonyl-benzene

Chemical Property of 1-(Bromomethyl)-4-(methylsulfonyl)benzene

Chemical Property:

• Appearance/Colour: white to beige crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 82-86 °C
• Refractive Index: 1.568
• Boiling Point: 375.203 °C at 760 mmHg
• Flash Point: 180.717 °C
• PSA: 42.52000
• Density: 1.55 g/cm³
• LogP: 3.06580
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.95066
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

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

1-(Bromomethyl)-4-methanesulfonylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36-22-34
• Safety Statements: 37/39-26-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Bromomethyl)-4-(methylsulfonyl)benzene

There total 9 articles about 1-(Bromomethyl)-4-(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%

p-methylsulfonylbenzyl alcohol (22821-77-8) → 4-(methylsulfonyl)benzyl bromide (53606-06-7)

Guidance literature:

p-methylsulfonylbenzyl alcohol; With methanesulfonyl chloride; triethylamine; In acetone; at 0 ℃; for 0.5h;

With lithium bromide; In acetone; at 0 - 20 ℃; for 1.58333h;

Reference yield:

para-methanesulfonylbenzaldehyde (5398-77-6) → 4-(methylsulfonyl)benzyl bromide (53606-06-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Al(OiPr)3 / propan-2-ol

2: aq. HBr

With hydrogen bromide; aluminum isopropoxide; In isopropyl alcohol;

DOI:10.1039/jr9620001420

Reference yield:

4-methylsulfonylbenzoic acid (4052-30-6) → 4-(methylsulfonyl)benzyl bromide (53606-06-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diborane / tetrahydrofuran / 1.5 h / 0 °C

2: PBr₃ / toluene / 0.17 h / 100 °C

With phosphorus tribromide; diborane; In tetrahydrofuran; toluene;

DOI:10.1021/jm00128a016

upstream raw materials:

p-methylsulfonylbenzyl alcohol

4-(methylthio)benzyl alcohol

4-methylsulfonylbenzoic acid

methylsulfonyl-4 benzoate d'ethyle

Downstream raw materials:

(4-iodomethyl-phenyl)-methyl sulfone

4-(4-methanesulfonyl-benzyl)-morpholine

(4-Methylsulfonyl-benzyl)-isothiuronium

α,α-Dichlor-N-methyl-p-(4-methylsulfonyl-benzyloxy)-acetanilid

Refernces

• 1、 -. "INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF". Paragraph 0223. . Retrieved 2017/09/05.
• 2、 Kelley,Linn,Selway. "Synthesis and antirhinovirus activity of 6-(dimethylamino)-2-(trifluoromethyl)-9-(substituted benzyl)-9H-purines". . p. 1757 - 1763. Retrieved 2007/10/02.