2-Bromoethyl bromoacetate

Base Information

• Chemical Name: 2-Bromoethyl bromoacetate
• CAS No.: 13891-62-8
• Molecular Formula: C4H6 Br2 O2
• Molecular Weight: 245.898
• NSC Number: 23982
• DSSTox Substance ID: DTXSID30930245
• Nikkaji Number: J1.713.644E
• Wikidata: Q82905513
• Mol file: 13891-62-8.mol

Synonyms:13891-62-8;2-bromoethyl bromoacetate;NSC23982;SCHEMBL20511453;DTXSID30930245;NSC-23982

Chemical Property of 2-Bromoethyl bromoacetate

Chemical Property:

• Vapor Pressure: 0.0377mmHg at 25°C
• Boiling Point: 240.5°Cat760mmHg
• Flash Point: 99.3°C
• Density: 1.976g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 245.87141
• Heavy Atom Count: 8
• Complexity: 74.4

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CBr)OC(=O)CBr

Technology Process of 2-Bromoethyl bromoacetate

There total 10 articles about 2-Bromoethyl bromoacetate 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: 89.0%

2,2-dimethyl-1,3-dioxolane (2916-31-6) + 2-Bromoacetyl bromide (598-21-0) → 2-bromoethyl 2-bromoacetate (13891-62-8)

Guidance literature:

at 0 - 20 ℃; for 3.5h;

DOI:10.1081/SCC-120002510

Reference yield: 63.4%

bromoacetic acid (79-08-3) + 2-bromoethanol (540-51-2) → 2-bromoethyl 2-bromoacetate (13891-62-8)

Guidance literature:

With toluene-4-sulfonic acid; In neat (no solvent); at 85 - 90 ℃; for 8h;

DOI:10.1039/C6RA27036K

Reference yield:

bromine (7726-95-6) + 2-chloro-ethanol (107-07-3) → 2-bromoethyl 2-bromoacetate (13891-62-8) + 1-Bromo-2-chloroethane (107-04-0) + ethylene dibromide (106-93-4) + 2-bromoethanol (540-51-2)

Guidance literature:

Reaktion mit:Produkt5: Bromessigsaeure Produkt6: Dibromessigsaeure.;

upstream raw materials:

oxirane

2-Bromoacetyl bromide

paracetaldehyde

2-bromoacetyl chloride

Refernces

• 1、 Bristow,P.A. et al.. "-". . p. 314 - 315. Retrieved 1967.
• 2、 Schneider, David F.,Viljoen, Murray S.. "Bromoacetyl bromide: A versatile and selective cleaving agent for ethers and acetals". . p. 721 - 728. Retrieved 2007/10/03.