Bromomethanesulfonyl bromide

Base Information

• Chemical Name: Bromomethanesulfonyl bromide
• CAS No.: 54730-18-6
• Molecular Formula: CH2Br2O2S
• Molecular Weight: 237.9
• DSSTox Substance ID: DTXSID20450528
• Nikkaji Number: J1.192.491C
• Wikidata: Q82270300
• Mol file: 54730-18-6.mol

Synonyms:bromomethanesulfonyl bromide;54730-18-6;Bromomethanesulphonylbromide;bromo-methanesulfonyl bromide;bromomethanesulfonylbromide;bromomethylsulfonyl bromide;SCHEMBL907804;Bromomethanesulfonic acid bromide;DTXSID20450528;ZUQDPSRFJGYOPL-UHFFFAOYSA-N;AKOS026729815;EN300-124564

Chemical Property of Bromomethanesulfonyl bromide

Chemical Property:

• Boiling Point: 80 °C
• PSA: 42.52000
• Density: 2.573±0.06 g/cm3(Predicted)
• LogP: 2.14430
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 237.81218
• Heavy Atom Count: 6
• Complexity: 108

Purity/Quality:

98%Min ^*data from raw suppliers

Bromomethanesulfonylbromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(S(=O)(=O)Br)Br

Technology Process of Bromomethanesulfonyl bromide

There total 3 articles about Bromomethanesulfonyl bromide 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: 79.0%

methanesulfonyl trimethylsilyl chloride (18143-34-5) → bromomethanesulfonyl bromide (54730-18-6) + bromomethanesulfonyl chloride (10099-08-8)

Guidance literature:

With tetraethylammonium chloride; bromine; cesium fluoride; In acetonitrile; Ambient temperature; addition at 0 deg C;

DOI:10.1016/S0040-4039(00)88704-3

Reference yield: 48.0%

[1,3,5]trithiane (291-21-4) → bromomethanesulfonyl bromide (54730-18-6)

Guidance literature:

With bromine; In water; at 40 ℃; for 0.25h;

DOI:10.15227/orgsyn.065.0090

Reference yield:

→ bromomethanesulfonyl bromide (54730-18-6)

Guidance literature:

upstream raw materials:

[1,3,5]trithiane

methanesulfonyl trimethylsilyl chloride

Downstream raw materials:

4-Phenyl-2,3-dihydro-3-oxa-thiophen-1-dioxid

N-phenyl-1-bromomethanesulfonamide

4-(bromomethanesulfonylamino-methyl)-benzoic acid methyl ester

C₉H₈Br₂O₂S

Refernces

• 1、 Block, Eric,Aslam, Mohammad. "A general synthetic method for the preparation of conjugated dienes from olefins using Bromomethanesulfonyl bromide: 1,2-Dimethylenecyclohexane". . p. 90 - 90. Retrieved 2017/05/23.