Methyl 2-bromo-2-ethylbutyrate

Base Information

• Chemical Name: Methyl 2-bromo-2-ethylbutyrate
• CAS No.: 2399-18-0
• Molecular Formula: C7H13 Br O2
• Molecular Weight: 209.083
• Hs Code.: 2915900090
• European Community (EC) Number: 219-267-1
• UNII: DGX57H4GPS
• DSSTox Substance ID: DTXSID90178707
• Nikkaji Number: J216.041B
• Wikidata: Q83049178
• Mol file: 2399-18-0.mol

Synonyms:Methyl 2-bromo-2-ethylbutyrate;2399-18-0;EINECS 219-267-1;methyl 2-bromo-2-ethylbutanoate;DGX57H4GPS;SCHEMBL11533675;DTXSID90178707;2-Bromo-2-ethyl-butyric acid methyl ester;2-Bromo-2-ethylbutanoic acid methyl ester;Butanoic acid, 2-bromo-2-ethyl-, methyl ester;Butyric acid, 2-bromo-2-ethyl-, methyl ester

Chemical Property of Methyl 2-bromo-2-ethylbutyrate

Chemical Property:

• Vapor Pressure: 0.844mmHg at 25°C
• Boiling Point: 181.6°Cat760mmHg
• Flash Point: 70.9°C
• PSA: 26.30000
• Density: 1.3g/cm³
• LogP: 2.11310
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 208.00989
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(C(=O)OC)Br

Technology Process of Methyl 2-bromo-2-ethylbutyrate

There total 5 articles about Methyl 2-bromo-2-ethylbutyrate 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: 60.0%

2-ethyl-butyric acid methyl ester (816-11-5) → bromo-2 ethyl-2 butyrate d'methyle (2399-18-0)

Guidance literature:

With carbon tetrabromide; lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃;

Reference yield:

methanol (67-56-1) + 2-ethyl-2-bromo-butyryl chloride (74988-02-6) → bromo-2 ethyl-2 butyrate d'methyle (2399-18-0)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 22h;

DOI:10.1021/jm701551j

Reference yield:

2-Ethylbutanoic acid (88-09-5) → bromo-2 ethyl-2 butyrate d'methyle (2399-18-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / H₂SO₄

2: 60 percent / 1) LDA 2) CBr₄ / tetrahydrofuran / -78 °C

With carbon tetrabromide; sulfuric acid; lithium diisopropyl amide; In tetrahydrofuran;

upstream raw materials:

methanol

2-Ethylbutanoic acid

2-ethyl-butyric acid methyl ester

2-ethyl-2-bromo-butyryl chloride

Downstream raw materials:

2.2-Diaethyl-3-phenyl-3-cyan-propionsaeure-methylester

2-ethyl-butyric acid methyl ester

2.2-Diaethyl-3-phenyl-3-cyan-propionsaeure