Isobutyl 2-bromopropionate

Base Information

• Chemical Name: Isobutyl 2-bromopropionate
• CAS No.: 69122-46-9
• Molecular Formula: C₇H₁₃BrO₂
• Molecular Weight: 209.083
• European Community (EC) Number: 273-886-1
• DSSTox Substance ID: DTXSID90988843
• Nikkaji Number: J332.809K
• Mol file: 69122-46-9.mol

Synonyms:69122-46-9;Isobutyl 2-bromopropionate;2-methylpropyl 2-bromopropanoate;iso-Butyl 2-bromopropionate;2-BROMOPROPIONICACIDISOBUTYLESTER;Propanoic acid,2-bromo-, 2-methylpropyl ester;2-methylpropyl2-bromopropanoate;EINECS 273-886-1;Propanoic acid, 2-bromo-, 2-methylpropyl ester;2-BROMOPROPIONIC ACID ISOBUTYL ESTER;Isobutyl 2-bromopropanoate #;SCHEMBL4413628;DTXSID90988843;MFCD00055237;AKOS016352947;Propanoic acid, 2-bromo, isobutyl ester;2-Bromopropanoic acid 2-methylpropyl ester;2-Bromopropionic acid, 2-methylpropyl ester;FT-0705385

Chemical Property of Isobutyl 2-bromopropionate

Chemical Property:

• Vapor Pressure: 0.751mmHg at 25°C
• Boiling Point: 184°C at 760 mmHg
• Flash Point: 72.5°C
• PSA: 26.30000
• Density: 1.294g/cm³
• LogP: 1.96900
• 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: 112

Purity/Quality:

98%Min ^*data from raw suppliers

2-methylpropyl2-bromopropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)COC(=O)C(C)Br
• Uses: 2-methylpropyl 2-bromopropanoate is a useful research chemical.

Technology Process of Isobutyl 2-bromopropionate

There total 5 articles about Isobutyl 2-bromopropionate 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:

2-methyl-propan-1-ol (78-83-1) + α-bromopropionyl bromide (563-76-8) → iso-butyl 2-bromopropanoate (69122-46-9,114438-62-9,114438-63-0)

Guidance literature:

With pyridine; at 0 - 20 ℃; for 16h;

Reference yield:

2-methyl-propan-1-ol (78-83-1) + 2-Bromopropionic acid (598-72-1,10327-08-9) → iso-butyl 2-bromopropanoate (69122-46-9,114438-62-9,114438-63-0)

Guidance literature:

With benzene; unter Entfernen des entstehenden Wassers;

DOI:10.1021/ja01609a043

Reference yield:

2-methyl-propan-1-ol (78-83-1) + 2-Bromopropionyl chloride (7148-74-5) → iso-butyl 2-bromopropanoate (69122-46-9,114438-62-9,114438-63-0)

Guidance literature:

DOI:10.1021/ja01609a043

upstream raw materials:

2-methyl-propan-1-ol

2-Bromopropionic acid

2-Bromopropionyl chloride

α-bromopropionyl bromide

Downstream raw materials:

2-[4-(4'-chlorophenoxy)-phenoxy]-propionic acid-2-methylpropyl ester

2-[4-(4-Bromo-phenoxy)-phenoxy]-propionic acid isobutyl ester

2-[4-(2,4-Dichloro-phenoxy)-phenoxy]-propionic acid isobutyl ester

N-BOC-N-(3-chloro-4-iodophenyl)alanine iso-butyl ester

Refernces

• 1、 -. "Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds". . . Retrieved 2008/06/13.
• 2、 -. "N-(aryl/heteroaryl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds". . . Retrieved 2008/06/13.