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CS-W001157 4
Total: USD 88.00

Dimethyl 2,5-dibromohexanedioate

  • CAS No. 868-72-4

  • Cat. No. CS-W005735
  • Purity≥96%
  • MDL No.None

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

Dimethyl 2,5-dibromohexanedioate|CS-W005735

Structure of 868-72-4

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General Information

  • CAS No. 868-72-4
  • Cat. No. CS-W005735
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂Br₂O₄
  • Molecular Weight 331.99
  • Synonym(s) Nsc134297
  • SMILES O=C(OC)C(Br)CCC(Br)C(OC)=O

Description

Dimethyl 2,5-dibromohexanedioate features two bromine substituents flanking a six-carbon chain, enabling selective functionalization in organic synthesis. This dibromo diester serves as a key intermediate for constructing complex cyclic and acyclic frameworks under mild conditions. The molecule's stability and defined stereochemical handle facilitate controlled transformations in multistep sequences.

Application

Dimethyl 2,5-dibromohexanedioate serves as a versatile dihalogenated building block for the synthesis of substituted cyclohexanes and functionalized heterocycles. Its brominated aliphatic framework enables efficient stereoselective transformations via nucleophilic substitution or elimination pathways. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in modular synthetic sequences targeting complex scaffolds in medicinal chemistry and materials science applications.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.6396
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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