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CS-W001157 4
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1-Bromo-3,5-dimethyladamantane

  • CAS No. 941-37-7

  • Cat. No. CS-0015436
  • Purity≥98%
  • MDL No.MFCD00077197

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

1-Bromo-3,5-dimethyladamantane|CS-0015436

Structure of 941-37-7

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General Information

  • CAS No. 941-37-7
  • Cat. No. CS-0015436
  • Purity ≥98%
  • MDL No. MFCD00077197
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉Br
  • Molecular Weight 243.18
  • Synonym(s) None
  • SMILES Br[C@@]12C[C@H](C[C@]3(C)C2)C[C@](C)(C3)C1

Description

1-Bromo-3,5-dimethyladamantane was used in the one pot synthesis of 1,3-dicarbonyl adamantanes. It was also used in the synthesis of 3,5-dimethyladamantan-1-ol.

Application

1-Bromo-3,5-dimethyladamantane serves as a robust, bench-stable building block for the synthesis of functionalized adamantane derivatives. The bromine at the bridgehead position enables reliable Suzuki, Negishi, and Stille couplings, while the 3,5-dimethyl substitution enhances steric protection and crystallinity. Its high thermal stability and compatibility with diverse functional groups make it ideal for constructing complex scaffolds in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Ren, Huixue; Ying, Hanjie; Ouyang, Pingkai; Lin, Jimao; Jing, Liu Asian Journal of Chemistry, 2012 , vol. 24, # 11 p. 5107 - 5110
  • Route2

    References

    • Tetrahedron, , vol. 69, # 10 p. 2251 - 2259
  • Route3

    References

    • WO2008/62472 A2, ; Page/Page column 16-17 ;

Safety Information

Download SDS
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.1303
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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