CAS 39149-80-9

1,1-Dimethylethyl 2-bromopropanoate

Description:

1,1-Dimethylethyl 2-bromopropanoate, also known by its CAS number 39149-80-9, is an organic compound characterized by its ester functional group. It features a branched alkyl chain, specifically a tert-butyl group (1,1-dimethylethyl), attached to a propanoate moiety that includes a bromine atom at the second carbon position. This compound is typically a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic characteristics. The presence of the bromine atom makes it a potential candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, its structure suggests it may exhibit moderate reactivity, particularly in the presence of nucleophiles. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested. Overall, 1,1-Dimethylethyl 2-bromopropanoate is of interest in organic synthesis and may have applications in pharmaceuticals or agrochemicals.

Formula: C₇H₁₃BrO₂

InChI: InChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3

InChI key: InChIKey=CVAWKJKISIPBOD-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(C(Br)C)=O

Synonyms:

• 1,1-Dimethylethyl 2-bromopropanoate
• 1,1-Dimethylethyl 2-bromopropionate
• Bromopropionicacidbutylester
• Propanoic acid, 2-bromo-, 1,1-dimethylethyl ester
• Propionic acid, 2-bromo-, tert-butyl ester
• Tert-Butyl 2-Bromopropanoate
• tert-Butyl α-bromopropionate
• tert-Butyl  2-bromopropionate

tert-Butyl 2-Bromopropionate

CAS: 39149-80-9

Formula: C₇H₁₃BrO₂

Purity: >97.0%(GC)

Color and Shape: Colorless to Light yellow to Light orange clear liquid

Molecular weight: 209.08

Ref: 3B-B1277

tert-Butyl 2-bromopropanoate

CAS: 39149-80-9

Formula: C₇H₁₃BrO₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 209.0809

Ref: IN-DA00336V

2-Bromopropionic Acid Tert-Butyl Ester

CAS: 39149-80-9

2-Bromopropionic Acid Tert-Butyl Ester

Formula: C₇H₁₃BrO₂

Purity: 99%

Molecular weight: 209.08

Ref: 54-OR1010371

tert-Butyl 2-Bromopropanoate

Controlled Product

CAS: 39149-80-9

Applications tert-Butyl 2-Bromopropanoate is a reactant used in the synthesis 3-(1-Aryl-1H-indol-5-yl)propanoic Acids as cytosolic phospholipase A2α inhibitors.
References Tomoo, T., et. al.: J. Med. Chem., 57, 7244 (2014)

Formula: C₇H₁₃BrO₂

Color and Shape: Neat

Molecular weight: 209.08

Ref: TR-B692760

2-Bromopropionic acid tert-butyl ester

CAS: 39149-80-9

2-Bromopropionic acid tert-butyl ester is a chemical compound that belongs to the group of alkylation agents. It is used in organic synthesis as a reagent for the preparation of enolates and acrylates by transfer reactions. This compound can be used to prepare styrene copolymers with acrylic acid, methacrylic acid, and crotonic acid. 2-Bromopropionic acid tert-butyl ester has been shown to react with chloride ions in an electrophilic substitution reaction to form a radical species that reacts with oxygen in the presence of light or heat to form a dipole. This process has been shown using techniques such as gel permeation chromatography and mass spectroscopy.

Formula: C₇H₁₃BrO₂

Purity: Min. 95%

Color and Shape: Colorless Clear Liquid

Molecular weight: 209.08 g/mol

Ref: 3D-FB75146

tert-Butyl 2-bromopropionate

CAS: 39149-80-9

Formula: C₇H₁₃BrO₂

Purity: 97.0%

Color and Shape: Clear

Molecular weight: 209.083

Ref: 10-F115400