2-Bromoethyl methanesulfonate

Base Information

• Chemical Name: 2-Bromoethyl methanesulfonate
• CAS No.: 4239-10-5
• Molecular Formula: C3H7BrO3S
• Molecular Weight: 203.057
• NSC Number: 49551
• UNII: HTM4Z2M8SN
• DSSTox Substance ID: DTXSID90195196
• Nikkaji Number: J908C
• Wikidata: Q83068073
• ChEMBL ID: CHEMBL16990
• Mol file: 4239-10-5.mol

Synonyms:2-Bromoethyl methanesulfonate;Bromoethyl methanesulfonate;4239-10-5;Ethanol, 2-bromo-, methanesulfonate;Methanesulfonic acid 2-bromoethyl ester;NSC-49551;Methanesulfonic acid, 2-bromoethyl ester;2-Bromoethyl mesylate;HTM4Z2M8SN;CHEMBL16990;SCHEMBL1934930;DTXSID90195196;ZUAJICINWDWGQN-UHFFFAOYSA-N;NSC49551;NSC 49551;Ethanol, 2-bromo-, 1-methanesulfonate;Methanesulfonic acid 2-bromo-ethyl ester;AI3-50048;EN300-6966431

Chemical Property of 2-Bromoethyl methanesulfonate

Chemical Property:

• Vapor Pressure: 0.0025mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 296.6°Cat760mmHg
• Flash Point: 133.2°C
• PSA: 51.75000
• Density: 1.711g/cm³
• LogP: 1.43830
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.92993
• Heavy Atom Count: 8
• Complexity: 133

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCBr

Technology Process of 2-Bromoethyl methanesulfonate

There total 1 articles about 2-Bromoethyl methanesulfonate 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:

ethene (74-85-1) + tetrabutylammonium methanesulfonate (65411-49-6) → 2-bromoethyl methanesulfonate (4239-10-5) + ethylene dibromide (106-93-4)

Guidance literature:

With bromine; In dichloromethane; Ambient temperature;

Reference yield: 51.0%

2-bromoethyl methanesulfonate (4239-10-5) + 1,1-bis(4-hydroxyphenyl)methylenecyclopentane (66422-10-4) → C21H24O5S (1331867-58-3)

Guidance literature:

With potassium carbonate; In acetone; at 50 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2012.04.005

Reference yield: 4.0%

oxalyl difluoride (359-40-0) + 2-bromoethyl methanesulfonate (4239-10-5) → 2,2,3,3-tetrafluoro-1,4-dioxan (56625-47-9) + 1-bromo-2-(trifluoromethoxy)ethane (1645-93-8)

Guidance literature:

With potassium fluoride; dibenzo-18-crown-6; In diethylene glycol dimethyl ether; at 140 ℃; for 60h; Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(00)81237-3

upstream raw materials:

ethene

tetrabutylammonium methanesulfonate

Downstream raw materials:

2-fluoroethyl bromide

2,2,3,3-tetrafluoro-1,4-dioxan

1-bromo-2-(trifluoromethoxy)ethane

C₂₁H₂₄O₅S

Refernces