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CS-W001157 4
Total: USD 88.00

1-Bromo-3,3-dimethyl-2-butanone

  • CAS No. 5469-26-1

  • Cat. No. CS-0199161
  • Purity≥98%
  • MDL No.MFCD00000206

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

1-Bromo-3,3-dimethyl-2-butanone|CS-0199161

Structure of 5469-26-1

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General Information

  • CAS No. 5469-26-1
  • Cat. No. CS-0199161
  • Purity ≥98%
  • MDL No. MFCD00000206
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁BrO
  • Molecular Weight 179.05
  • Synonym(s) Bromomethyl tert-Butyl Ketone
  • SMILES CC(C)(C)C(=O)CBr

Description

1-Bromopinacolone acts as a reversible competitive inhibitor for acetylcholinesterase in the hydrolysis of acetylcholine.

Synthesis

  • Route1
    • null|null
      75-97-8
    • ~92%
    • In-stock
      1-Bromo-3,3-dimethyl-2-butanone|CS-0199161
      5469-26-1

    References

    • Nikishin; Sokova; Kapustina Russian Chemical Bulletin, 2013 , vol. 62, # 5 p. 1214 - 1217 Izv. Akad. Nauk, Ser. Khim., 2013 , # 5 p. 1214 - 1217,4
  • Route2
    • null|null
      75-97-8
    • ~50%
    • 1,1-Dibromopinacolone|CS-0206262
      30263-65-1
    • In-stock
      1-Bromo-3,3-dimethyl-2-butanone|CS-0199161
      5469-26-1

    References

    • Ohkuma, Takeshi; Sandoval, Christian A.; Srinivasan, Rajagopal; Lin, Quinghong; Wei, Yinmao; Muniz, Kilian; Noyori, Ryoji Journal of the American Chemical Society, 2005 , vol. 127, # 23 p. 8288 - 8289
  • Route3
    • null|null
      558-37-2
    • ~92%
    • In-stock
      1-Bromo-3,3-dimethyl-2-butanone|CS-0199161
      5469-26-1

    References

    • Deshmukh, Swapnil S.; Chaudhari, Kiran H.; Akamanchi, Krishnacharya G. Synlett, 2011 , # 1 art. no. D18210ST, p. 81 - 83

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: 1224
Class : 3
Packing Group : Ⅲ
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   17.07
  • LogP   1.9965
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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