Description

Ethyl 6-bromo-2,2-dimethylhexanoate (CAS No. 78712-62-6) is a high-purity brominated ester compound with the molecular formula C₁₀H₁₉BrO₂. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive bromine moiety and sterically hindered ester group. The compound is characterized by its clear to pale-yellow liquid appearance and is supplied with a detailed Certificate of Analysis (CoA) to ensure quality, consistency, and traceability. Packaged under inert conditions to maintain stability, it is ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a building block for complex molecular architectures. Suitable for laboratory and industrial-scale applications, this product is stored under recommended conditions to preserve its integrity.

Properties

• CAS Number: 78712-62-6
• Complexity: 155
• IUPAC Name: ethyl 6-bromo-2,2-dimethyl-hexanoate
• InChI: InChI=1S/C10H19BrO2/c1-4-13-9(12)10(2,3)7-5-6-8-11/h4-8H2,1-3H3
• InChI Key: CSQGAUJUODHNIM-UHFFFAOYSA-N
• Exact Mass: 250.05684
• Molecular Formula: C10H19BrO2
• Molecular Weight: 251.16
• SMILES: CCOC(=O)C(C)(C)CCCCBr
• Topological: 26.3
• Monoisotopic Mass: 250.05684
• Synonyms: ethyl 6-bromo-2,2-dimethylhexanoate, 78712-62-6, MFCD22681601, SCHEMBL186838, CSQGAUJUODHNIM-UHFFFAOYSA-N, CS-B1408, ethyl 6-bromo-2,2-dimethylhexanate, Ethyl6-Bromo-2,2-dimethylhexanoate, ethyl 2,2-dimethyl-6-bromohexanoate, 6-Bromo-2-ethoxycarbonyl-2-methylhexane, AS-77413, DA-02779, SY264818, 6-Bromo-2,2-dimethylhexanoic acid ethyl ester, C16379, 6-bromo-2,2-dimethyl-hexanoic acid ethyl ester

Application

Ethyl 6-bromo-2,2-dimethylhexanoate serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmacologically active compounds and fine chemicals. Its bromine functionality enables participation in palladium-catalyzed cross-coupling reactions, such as Suzuki or Heck reactions, to construct advanced scaffolds. Researchers also employ it in the development of agrochemicals and specialty materials requiring branched alkyl chains. The steric hindrance from the 2,2-dimethyl group makes it valuable for studying steric effects in reaction mechanisms.

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