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CS-W001157 4
Total: USD 88.00

(3r,5r,7r)-1-(4-Bromophenyl)adamantane

  • CAS No. 2245-43-4

  • Cat. No. CS-0615361
  • Purity≥98%
  • MDL No.MFCD01882238

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

(3r,5r,7r)-1-(4-Bromophenyl)adamantane|CS-0615361

Structure of 2245-43-4

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General Information

  • CAS No. 2245-43-4
  • Cat. No. CS-0615361
  • Purity ≥98%
  • MDL No. MFCD01882238
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₉Br
  • Molecular Weight 291.23
  • Synonym(s) None
  • SMILES BrC1=CC=C(C=C1)C2(C[C@@H](C3)C4)C[C@@H]4C[C@@H]3C2

Description

(3r,5r,7r)-1-(4-Bromophenyl)adamantane is a sterically hindered, bench-stable adamantane derivative featuring a para-brominated phenyl group. This configuration imparts high rigidity and defined spatial orientation, enabling its use in asymmetric synthesis and as a chiral building block for functional materials. The bromine substituent facilitates downstream cross-coupling reactions.

Application

(3R,5R,7R)-1-(4-Bromophenyl)adamantane serves as a rigid, sterically defined building block for medicinal chemistry and materials science. Its adamantane core provides exceptional bench stability and lipophilic character, while the pendant 4-bromophenyl group enables palladium-catalyzed cross-coupling reactions. This compound facilitates the construction of complex scaffolds with defined three-dimensional architecture, offering predictable spatial orientation in drug discovery and functional material design.

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 : H319-H413
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.9169
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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