Ethyl 6-bromo-2,2-dimethylhexanoate

Name: Ethyl 6-bromo-2,2-dimethylhexanoate
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CAS No. 78712-62-6
Cat. No. CS-B1408
Purity≥98%
MDL No.MFCD22681601

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Ethyl 6-bromo-2,2-dimethylhexanoate|CS-B1408

Structure of 78712-62-6

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General Information

CAS No. 78712-62-6
Cat. No. CS-B1408
Purity ≥98%
MDL No. MFCD22681601
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₉BrO₂
Molecular Weight 251.16
Synonym(s) ethyl 6-bromo-2,2-dimethylhexanate
SMILES O=C(OCC)C(C)(C)CCCCBr

Description

Ethyl 6-bromo-2,2-dimethylhexanoate features a brominated aliphatic chain with a sterically hindered gem-dimethyl group, enabling selective functionalization in synthetic sequences. This bench-stable ester integrates readily into carbon–carbon bond-forming reactions and serves as a robust precursor for complex alkylated intermediates under mild conditions.

Application

Ethyl 6-bromo-2,2-dimethylhexanoate serves as a versatile building block in synthetic organic chemistry, enabling the construction of complex alkylated scaffolds via palladium-catalyzed cross-coupling reactions. The bromide functionality offers high reactivity in Suzuki, Stille, and Negishi couplings, while the sterically hindered gem-dimethyl group enhances stability under standard reaction conditions. Its bench-stable nature and straightforward purification profile make it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 3.1409
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Key Words

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Ethyl 6-bromo-2,2-dimethylhexanoate

CAS No. 78712-62-6

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