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CS-W001157 4
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2-Bromo-1-phenylpropane

  • CAS No. 2114-39-8

  • Cat. No. CS-0204904
  • Purity≥95%
  • MDL No.MFCD00000149

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

2-Bromo-1-phenylpropane|CS-0204904

Structure of 2114-39-8

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General Information

  • CAS No. 2114-39-8
  • Cat. No. CS-0204904
  • Purity ≥95%
  • MDL No. MFCD00000149
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁Br
  • Molecular Weight 199.09
  • Synonym(s) (2-Bromopropyl)benzene
  • SMILES BrC(C)CC=1C=CC=CC1

Description

2-Bromo-1-phenylpropane is a chiral alkyl halide featuring a benzylic bromine and a stereogenic center. This compound serves as a key intermediate in asymmetric synthesis, enabling efficient C–C bond formation through nucleophilic substitution or transition-metal-catalyzed coupling. The phenyl group imparts stability and facilitates directed functionalization.

Application

2-Bromo-1-phenylpropane serves as a versatile alkylating agent in synthetic organic chemistry, enabling efficient C–C bond formation via transition-metal-catalyzed cross-coupling reactions. Its benzylic bromide functionality offers high reactivity under palladium-catalyzed conditions while maintaining bench stability and ease of purification. The molecule functions effectively in Suzuki-Miyaura, Negishi, and Stille coupling protocols, providing reliable access to substituted biaryl and functionalized alkylarenes.

Synthesis

  • Route1
    • null|null
      14135-71-8
    • ~79%
    • In-stock
      2-Bromo-1-phenylpropane|CS-0204904
      2114-39-8

    References

    • FLORIDA ATLANTIC UNIVERSITY Patent: WO2006/60142 A2, 2006 ; Location in patent: Page/Page column 15-16 ;
  • Route2
    • null|null
      866942-23-6
    • ~98%
    • In-stock
      2-Bromo-1-phenylpropane|CS-0204904
      2114-39-8

    References

    • FLORIDA ATLANTIC UNIVERSITY Patent: WO2006/60142 A2, 2006 ; Location in patent: Page/Page column 15-16 ;
  • Route3
    • 1-Phenylpropan-2-yl methanesulfonate|CS-1144210
      61380-47-0
    • ~93%
    • In-stock
      2-Bromo-1-phenylpropane|CS-0204904
      2114-39-8

    References

    • Liu, Yajun; Xu, Yongnan; Jung, Sun Ho; Chae, Junghyun Synlett, 2012 , vol. 23, # 18 p. 2692 - 2698,7 Title/Abstract Full Text Show Details Liu, Yajun; Xu, Yongnan; Jung, Sun Ho; Chae, Junghyun Synlett, 2012 , vol. 23, # 18 p. 2692 - 2698

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.0125
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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