tert-Butyl 2-bromoisobutyrate

Base Information

• Chemical Name: tert-Butyl 2-bromoisobutyrate
• CAS No.: 23877-12-5
• Molecular Formula: C8H15BrO2
• Molecular Weight: 223.11
• Hs Code.: 29159000
• European Community (EC) Number: 245-924-7
• DSSTox Substance ID: DTXSID80178579
• Nikkaji Number: J38.168C
• Wikidata: Q72514099
• Mol file: 23877-12-5.mol

Synonyms:23877-12-5;tert-Butyl 2-bromoisobutyrate;tert-butyl 2-bromo-2-methylpropanoate;t-butyl 2-bromo isobutyrate;tert-Butyl alpha-bromoisobutyrate;t-Butyl 2-bromoisobutyrate;2-Bromoisobutyric acid tert-butylester;tert-Butyl 2-bromo-2-methylpropionate;tert-butyl-2-bromoisobutyrate;Propanoic acid, 2-bromo-2-methyl-, 1,1-dimethylethyl ester;2-Bromoisobutyric Acid tert-Butyl Ester;t-Butyl 2-bromoisobutylate;tert-Butyl 2-bromoisobutylate;EINECS 245-924-7;MFCD00051908;2-bromo-2-methyl-propionic acid tert-butyl ester;tertbutyl bromoisobutyrate;tert-butyl bromisobutyrate;tert-butyl bromoisobutyrate;t-Butyl-2-bromoisobutyrate;tert-butyl 2-bromisobutyrate;tert butyl-2-bromoisobutyrate;SCHEMBL161854;tert-butyl-2-bromo-isobutyrate;tert.-butyl 2-bromoisobutyrate;DTXSID80178579;tert-Butyl alpha -bromoisobutyrate;BCP24439;t-butyl 2-bromo-2-methylpropionate;t-butyl-2-bromo-2-methylpropanoate;YAA87712;tert-butyl2-bromo-2-methylpropanoate;tert-butyl 2-bromo-2-methylpropanate;AKOS015900934;CS-W001075;tert-butyl 2-bromo-2,2-dimethylacetate;tert.-butyl 2-bromo-2-methyl-propionate;AS-13184;SY035581;alpha-Bromoisobutyric acid tert-butyl ester;B3500;FT-0638365;tert-Butyl alpha-bromoisobutyrate, >=98.0%;1,1-dimethylethyl 2-bromo-2-methylpropanoate;TERT-BUTYL-2-BROMO-2-METHYLPROPIONATE;EN300-814044;F20324;2-bromo-2-methylpropionic acid tert-butyl ester;J-015256;J-524438;2-BROMO-2-METHYLPROPANOIC ACID TERT-BUTYL ESTER

Chemical Property of tert-Butyl 2-bromoisobutyrate

Chemical Property:

• Vapor Pressure: 1.15mmHg at 25°C
• Refractive Index: n20/D 1.436
• Boiling Point: 175.5 °C at 760 mmHg
• Flash Point: 66.8 °C
• PSA: 26.30000
• Density: 1.258 g/cm³
• LogP: 2.50160
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 222.02554
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl2-bromo-2-methylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C(C)(C)Br
• Uses: tert-Butyl α-bromoisobutyrate was used as an initiator in the atom transfer radical polymerisation (ATRP) of 2-(acetoacetoxy)ethyl methacrylate (AEMA).

Technology Process of tert-Butyl 2-bromoisobutyrate

There total 5 articles about tert-Butyl 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:

2-bromo-2-methylpropionic acid (2052-01-9) + tert-butyl alcohol (75-65-0) → tert-butyl bromoisobutyrate (23877-12-5)

Guidance literature:

With 4-methoxy-phenol; isobutene; In dichloromethane; at 41 ℃; for 5h; Reagent/catalyst; Temperature; Reflux;

Reference yield:

2-bromoisobutyric acid bromide (20769-85-1) + tert-butyl alcohol (75-65-0) → tert-butyl bromoisobutyrate (23877-12-5)

Guidance literature:

With N,N-dimethyl-aniline;

Reference yield:

2-bromo-2-methylpropionic acid (2052-01-9) + trifluorormethanesulfonic acid (1493-13-6) → tert-butyl bromoisobutyrate (23877-12-5)

Guidance literature:

In hexane; dichloromethane;

upstream raw materials:

isobutene

2-bromoisobutyric acid bromide

tert-butyl alcohol

2-bromo-2-methylpropionic acid

Downstream raw materials:

3-hydroxy-2,2-dimethyl-3-phenylpropanoic acid

3-Hydroxy-2.2-dimethyl-3-phenyl-propionsaeure-tert.-butylester

tert-butyl 1,3-dihydro-1-hydroxy-α,α-dimethyl-3-oxo-1-isobenzofuranacetate

imino-2 Z (tritylamino-2 thiazolyl-4)-2 acetate d'ethyle

Refernces

• 1、 Stolze, Klaus,Udilova, Natascha,Rosenau, Thomas,Hofinger, Andreas,Nohl, Hans. "Spin trapping of superoxide, alkyl- and lipid-derived radicals with derivatives of the spin trap EPPN". . p. 1717 - 1726. Retrieved 2007/10/03.