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CS-W001157 4
Total: USD 88.00

3-Bromo-2,2-dimethylpropan-1-ol

  • CAS No. 40894-00-6

  • Cat. No. CS-0043654
  • Purity≥96%
  • MDL No.MFCD00004683

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

3-Bromo-2,2-dimethylpropan-1-ol|CS-0043654

Structure of 40894-00-6

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General Information

  • CAS No. 40894-00-6
  • Cat. No. CS-0043654
  • Purity ≥96%
  • MDL No. MFCD00004683
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₁BrO
  • Molecular Weight 167.04
  • Synonym(s) 3-Bromo-2,2-dimethyl-1-propanol
  • SMILES OCC(C)(C)CBr

Description

3-Bromo-2,2-dimethyl-1-propanol was used in the synthesis of 3-bromo-2,2-dimethylpropanal by undergoing oxidation with pyridinium chlorochromate, mixed with silica, in dichloromethane.

Application

3-Bromo-2,2-dimethylpropan-1-ol serves as a versatile primary alcohol building block in synthetic organic chemistry, enabling efficient access to functionalized alkyl chains. Its tertiary carbon adjacent to the hydroxyl group imparts enhanced stability and resistance to oxidation, while the bromide facilitates reliable SN2 substitution reactions. The molecule functions effectively in coupling protocols and as a precursor for protected intermediates, offering predictable reactivity and straightforward purification under standard bench conditions.

Synthesis

  • Route1
    • null|null
      126-30-7
    • ~88%
    • In-stock
      3-Bromo-2,2-dimethylpropan-1-ol|CS-0043654
      40894-00-6

    References

    • Dale, Johannes; Fredriksen, Siw B. Acta Chemica Scandinavica, 1991 , vol. 45, # 1 p. 82 - 91
  • Route2
    • null|null
      6921-35-3
    • null|null
      603-35-0
    • ~46%
    • In-stock
      1,3-Dibromo-2,2-dimethylpropane|CS-W004189
      5434-27-5
    • In-stock
      3-Bromo-2,2-dimethylpropan-1-ol|CS-0043654
      40894-00-6
    • null|null
      1414522-14-7

    References

    • Billing, Peter; Brinker, Udo H. Journal of Organic Chemistry, 2012 , vol. 77, # 24 p. 11227 - 11231
  • Route3
    • null|null
      3492-41-9
    • ~%
    • In-stock
      3-Bromo-2,2-dimethylpropan-1-ol|CS-0043654
      40894-00-6

    References

    • Searles et al. Journal of Organic Chemistry, 1959 , vol. 24, p. 1839,1842

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

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.3998
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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