2-Hydroxyethyl 2-bromoisobutyrate

Base Information

• Chemical Name: 2-Hydroxyethyl 2-bromoisobutyrate
• CAS No.: 189324-13-8
• Molecular Formula: C6H11BrO3
• Molecular Weight: 211.056
• Hs Code.: 2915900090
• European Community (EC) Number: 606-170-8
• DSSTox Substance ID: DTXSID70467247
• Nikkaji Number: J1.166.566G
• Wikidata: Q82294069
• Mol file: 189324-13-8.mol

Synonyms:189324-13-8;2-HYDROXYETHYL 2-BROMOISOBUTYRATE;2-HYDROXYETHYL 2-BROMO-2-METHYLPROPANOATE;Propanoic acid, 2-bromo-2-methyl-, 2-hydroxyethyl ester;HEBIB;Hydroxyethyl 2-Bromoisobutyrate;SCHEMBL1198114;2-Hydroxyethyl -bromoisobutyrate;2-hydroxyethyl-2-bromoisobutyrate;DTXSID70467247;MHXMVFDLNGKBSR-UHFFFAOYSA-N;BCP32430;MFCD16621490;AKOS028109914;2-HYDROXYETHYL2-BROMOISOBUTYRATE;2-Hydroxyethyl 2-bromoisobutyrate, 95%;AS-70042;2-Hydroxyethyl-2-bromo-2-methylpropionate;CS-0439106;H1751;D97663;2-Hydroxyethyl (c) paragraph sign-bromoisobutyrate;2-bromo-2-methyl-propionic acid 2-hydroxy-ethyl ester

Chemical Property of 2-Hydroxyethyl 2-bromoisobutyrate

Chemical Property:

• Vapor Pressure: 0.000756mmHg at 25°C
• Refractive Index: n20/D1.476
• Boiling Point: 273oC at 760 mmHg
• Flash Point: 118.9oC
• PSA: 46.53000
• Density: 1.488g/cm3
• LogP: 0.69540
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 209.98916
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

97% ^*data from raw suppliers

2-Hydroxyethyl 2-bromoisobutyrate 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C(=O)OCCO)Br
• Uses: ATRP for Everyone: Ligands and Initiators for the Clean Synthesis of Functional Polymers

Technology Process of 2-Hydroxyethyl 2-bromoisobutyrate

There total 4 articles about 2-Hydroxyethyl 2-bromoisobutyrate 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: 91.0%

2-bromoisobutyric acid bromide (20769-85-1) + ethylene glycol (107-21-1) → 2-hydroxyethyl 2-bromoisobutyrate (189324-13-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1039/d0ra05820c

Reference yield: 89.0%

ethylene glycol (107-21-1) → 2-hydroxyethyl 2-bromoisobutyrate (189324-13-8)

Guidance literature:

at 0 ℃; for 3h;

Reference yield: 73.0%

2-bromo-2-methylpropionic acid (2052-01-9) + ethylene glycol (107-21-1) → 2-hydroxyethyl 2-bromoisobutyrate (189324-13-8)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; at 90 ℃; for 24h;

DOI:10.1021/ja1027502

upstream raw materials:

2-bromo-2-methylpropionyl chloride

ethylene glycol

2-bromoisobutyric acid bromide

2-bromo-2-methylpropionic acid

Downstream raw materials:

C₁₃H₁₀BrF₄N₃O₄

2-(2-bromo-2-methylpropanoyloxy)ethyl pent-4-ynoate

2-trimethylsilyloxyethyl 2-bromoisobutyrate