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7-Bromo-2,2-dimethylheptanoic acid ethyl ester

  • CAS No. 123469-92-1

  • Cat. No. CS-M3640
  • Purity≥97%
  • MDL No.MFCD27942427

*For research and further manufacturing use only, not for direct human use.

7-Bromo-2,2-dimethylheptanoic acid ethyl ester|CS-M3640

Structure of 123469-92-1

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General Information

  • CAS No. 123469-92-1
  • Cat. No. CS-M3640
  • Purity ≥97%
  • MDL No. MFCD27942427
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₁BrO₂
  • Molecular Weight 265.19
  • Synonym(s) Ethyl 7-bromo-2,2-dimethylheptanoate; Heptanoic acid, 7-bromo-2,2-dimethyl-, ethyl ester
  • SMILES O=C(OCC)C(C)(C)CCCCCBr

Description

7-Bromo-2,2-dimethylheptanoic acid ethyl ester features a brominated aliphatic chain with a sterically shielded gem-dimethyl group, enhancing stability and resistance to premature hydrolysis. This robust scaffold integrates seamlessly into synthetic workflows requiring halogenated building blocks for C–C bond formation or transition metal-catalyzed coupling reactions.

Application

7-Bromo-2,2-dimethylheptanoic acid ethyl ester serves as a versatile building block for the synthesis of brominated aliphatic intermediates. Its stability under standard reaction conditions and tolerance to common functional groups facilitate efficient downstream transformations. The ethyl ester moiety enables straightforward manipulation via hydrolysis or nucleophilic substitution, while the bromo group provides a reliable handle for cross-coupling reactions. This compound functions effectively in the construction of complex alkyl chains and saturated heterocyclic scaffolds relevant to medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.531
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   7

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