(3-bromophenyl)methanesulfonyl Chloride

Base Information

• Chemical Name: (3-bromophenyl)methanesulfonyl Chloride
• CAS No.: 58236-74-1
• Molecular Formula: C7H6 Br Cl O2 S
• Molecular Weight: 269.546
• Hs Code.: 2904909090
• European Community (EC) Number: 674-543-2
• DSSTox Substance ID: DTXSID70375777
• Wikidata: Q82164459
• Mol file: 58236-74-1.mol

Synonyms:(3-bromophenyl)methanesulfonyl Chloride;58236-74-1;3-Bromobenzylsulfonyl Chloride;(3-Bromophenyl)methanesulphonyl chloride;3-bromobenzylsulphonyl chloride;SCHEMBL1118911;DTXSID70375777;VCGKEAIINMDLMC-UHFFFAOYSA-N;MFCD06798043;(3-Bromophenyl)methanesulfonylchloride;AKOS010077456;s11987;AS-54553;METHYL3-CHLORO-4-METHYLCARBANILATE;3-bromobenzylsulfonyl chloride, AldrichCPR;FT-0640515;EN300-198977;A831796

Chemical Property of (3-bromophenyl)methanesulfonyl Chloride

Chemical Property:

• Vapor Pressure: 8.87E-05mmHg at 25°C
• Melting Point: 88 °C
• Refractive Index: 1.599
• Boiling Point: 350.5°Cat760mmHg
• Flash Point: 165.8°C
• PSA: 42.52000
• Density: 1.746g/cm³
• LogP: 3.59850
• Storage Temp.: Store under inert gas
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 267.89604
• Heavy Atom Count: 12
• Complexity: 234

Purity/Quality:

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

3-BromobenzylsulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-bromophenyl)methanesulfonyl Chloride

There total 6 articles about (3-bromophenyl)methanesulfonyl Chloride 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: 85.0%

sodium (3-bromophenyl)methanesulfonate → (3-bromophenyl)methanesulfonyl chloride (58236-74-1)

Guidance literature:

With trichlorophosphate; In sulfolane; acetonitrile; at 70 ℃; for 3h;

DOI:10.1016/S0968-0896(02)00062-7

Reference yield:

C7H6BrO2S(1-)*Na(1+) → (3-bromophenyl)methanesulfonyl chloride (58236-74-1)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 110 ℃; for 15h;

Reference yield:

C8H9BrN2S*H(1+) → (3-bromophenyl)methanesulfonyl chloride (58236-74-1)

Guidance literature:

C₈H₉BrN₂S*H⁽¹⁺⁾; With hydrogenchloride; In acetonitrile; at 0 ℃; for 0.25h;

With N-chloro-succinimide; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1021/jacs.9b10646

upstream raw materials:

meta-bromobenzyl bromide

3-bromobenzyl chloride

Downstream raw materials:

1-(3-bromophenyl)methanesulfonamide

[3-(5-acetyl-thiophen-2-yl)-phenyl]-methanesulfonamide

4-{[(3-bromobenzyl)sulfonyl]amino}-2-hydroxybenzoic acid

Refernces

• 1、 Bera, Milan,Agasti, Soumitra,Chowdhury, Rajdip,Mondal, Rahul,Pal, Debasis,Maiti, Debabrata. "Rhodium-Catalyzed meta-C?H Functionalization of Arenes". supporting information. p. 5272 - 5276. Retrieved 2017/04/27.
• 2、 Shim, Jaechul,Eid, Clark,Lee, Julie,Liu, Erica,Chaudhary, Divya,Boschelli, Diane H.. "Synthesis and PKCθ inhibitory activity of a series of 5-vinyl phenyl sulfonamide-3-pyridinecarbonitriles". scheme or table. p. 6575 - 6577. Retrieved 2010/06/12.