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CS-W001157 4
Total: USD 88.00

1-Bromo-3,3-dimethylbutane

  • CAS No. 1647-23-0

  • Cat. No. CS-B0401
  • Purity≥97%
  • MDL No.MFCD00060844

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

1-Bromo-3,3-dimethylbutane|CS-B0401

Structure of 1647-23-0

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General Information

  • CAS No. 1647-23-0
  • Cat. No. CS-B0401
  • Purity ≥97%
  • MDL No. MFCD00060844
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₃Br
  • Molecular Weight 165.07
  • Synonym(s) 1-Brom-3,3-dimethylbutan
  • SMILES BrCCC(C)(C)C

Description

1-Bromo-3,3-dimethylbutane features a primary bromide group flanked by a sterically hindered quaternary carbon center. This configuration enhances stability and directs regioselective transformations in nucleophilic substitution reactions. The molecule integrates readily into synthetic sequences requiring controlled alkyl chain extension or functional group installation under standard conditions.

Application

1-Bromo-3,3-dimethylbutane serves as a versatile alkylating agent in organic synthesis, enabling efficient C–C bond formation via SN2 reactions. Its tertiary carbon adjacent to the bromide imparts enhanced reactivity while maintaining bench stability and ease of handling. The molecule functions effectively in the construction of complex alkylated scaffolds, including those found in pharmaceutical intermediates, with predictable regioselectivity and good functional group tolerance under standard reaction conditions.

Synthesis

  • Route1

    References

    • Hamano, Hiroshi; Nagata, Keiichi; Fukada, Nobuo; Shimotahira, Hiroshi; Ju, Xiu-Lian; Ozoe, Yoshihisa Bioorganic and Medicinal Chemistry, 2000 , vol. 8, # 3 p. 665 - 674
  • Route2
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      558-37-2
    • ~%
    • In-stock
      1-Bromo-3,3-dimethylbutane|CS-B0401
      1647-23-0

    References

    • Chem. Zentralbl., , vol. 77, # I p. 1233
  • Route3
    • null|null
      54509-73-8
    • null|null
      507-19-7
    • ~%
    • In-stock
      1-Bromo-3,3-dimethylbutane|CS-B0401
      1647-23-0

    References

    • Journal of the American Chemical Society, , vol. 67, p. 1153 US2434289 , ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P362-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.8175
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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