CAS 29823-21-0

Octanoic acid, 8-bromo-, ethyl ester

Description:

Octanoic acid, 8-bromo-, ethyl ester, with the CAS number 29823-21-0, is an organic compound that belongs to the class of fatty acid esters. It is derived from octanoic acid, a medium-chain fatty acid, and features a bromine atom at the 8-position of the carbon chain. This compound typically appears as a colorless to pale yellow liquid and has a characteristic fatty odor. Its molecular structure includes an ethyl ester functional group, which contributes to its solubility in organic solvents while being less soluble in water. Octanoic acid derivatives are known for their applications in various fields, including pharmaceuticals, cosmetics, and food additives, due to their emulsifying and surfactant properties. The presence of the bromine atom may impart unique reactivity, making it useful in synthetic organic chemistry. Safety data should be consulted for handling and exposure, as halogenated compounds can exhibit varying degrees of toxicity and environmental impact.

Formula: C₁₀H₁₉BrO₂

InChI: InChI=1S/C10H19BrO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3

InChI key: InChIKey=UBTQVPMVWAEGAC-UHFFFAOYSA-N

SMILES: C(CCCCCCCBr)(OCC)=O

Synonyms:

• 8-Bromo octanioic acid ethyl ester
• 8-Bromocaprylic acid ethyl ester
• Caprylic acid, η-bromo-, ethyl ester
• Ethyl 8-Bromooctanoate
• NSC 100182
• Octanoic acid, 8-bromo-, ethyl ester
• 8-Bromo-Octanoic acid ethyl ester

8-bromo-octanoic acid ethyl ester

CAS: 29823-21-0

Formula: C₁₀H₁₉BrO₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 251.1607

Ref: IN-DA00366X

Ethyl 8-bromooctanoate

CAS: 29823-21-0

Ethyl 8-bromooctanoate

Formula: C₁₀H₁₉BrO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 251.16065

Ref: 54-OR50964

8-Bromocaprylic acid ethyl ester

CAS: 29823-21-0

8-Bromocaprylic acid ethyl ester is a PROTAClinker utilized in the synthesis of PROTAC molecules.

Formula: C₁₀H₁₉BrO₂

Molecular weight: 251.16

Ref: TM-T216257

Ethyl 8-Bromooctanoate

CAS: 29823-21-0

Formula: C₁₀H₁₉BrO₂

Purity: >98.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 251.16

Ref: 3B-B6430

Ethyl-8-bromooctanoate

CAS: 29823-21-0

Formula: C₁₀H₁₉BrO₂

Purity: 95%

Color and Shape: Liquid

Molecular weight: 251.164

Ref: 10-F043688

Ethyl 8-Bromooctanoate

CAS: 29823-21-0

Ethyl 8-bromooctanoate is a lipophilic brominated compound that binds to the bromodomains of the nuclear factor kappa B (NFκB) protein and inhibits its transcriptional activity. It also possesses antiproliferative activity in vitro, with some selectivity for cancer cells. The inhibition of NFκB transcriptional activity by ethyl 8-bromooctanoate may be due to the ability of this molecule to interfere with the formation of a complex between the bromodomain and the inhibitory domain of NFκB. It has been shown that oxetane derivatives can be used as starting materials for synthesis of ethyl 8-bromooctanoate. The synthetic scheme starts from commercially available biphenyl and chloroformates, followed by esterification reactions to produce diethyl esters. Bromination reactions are then carried out in order to produce the final product.

Formula: C₁₀H₁₉BrO₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 251.16 g/mol

Ref: 3D-FE45731

Ethyl 8-bromooctanoate

CAS: 29823-21-0

Ethyl 8-Bromooctanoate

Formula: C₁₀H₁₉BrO₂

Purity: 99%

Molecular weight: 251.16

Ref: IN-DG212806

Ethyl 8-Bromooctanoate

Controlled Product

CAS: 29823-21-0

Applications Ethyl 8-bromooctanoate is a useful research reagent for organic synthesis and other chemical processes.
References Shao, M., et al.: Bioorg. Med. Chem. Lett., 27, 4051 (2017); Wang, L., et al.: Chin. J. Chem., 32, 157 (2014)

Formula: C₁₀H₁₉BrO₂

Color and Shape: Neat

Molecular weight: 251.16

Ref: TR-E900845