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CS-W001157 4
Total: USD 88.00

1-Boc-4-ethynyl-1H-pyrazole

  • CAS No. 1093193-29-3

  • Cat. No. CS-W004475
  • Purity≥97%
  • MDL No.MFCD16293741

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

1-Boc-4-ethynyl-1H-pyrazole|CS-W004475

Structure of 1093193-29-3

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General Information

  • CAS No. 1093193-29-3
  • Cat. No. CS-W004475
  • Purity ≥97%
  • MDL No. MFCD16293741
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O₂
  • Molecular Weight None
  • Synonym(s) 1H-Pyrazole-1-carboxylic acid, 4-ethynyl-, 1,1-dimethylethyl ester
  • SMILES C#CC(C=N1)=CN1C(OC(C)(C)C)=O

Synthesis

  • Route1
    • tert-Butyl 4-((trimethylsilyl)ethynyl)-1h-pyrazole-1-carboxylate|CS-0686132
      1093193-28-2
    • ~63%
    • In-stock
      1-Boc-4-ethynyl-1H-pyrazole|CS-W004475
      1093193-29-3

    References

    • CANCER RESEARCH TECHNOLOGY LIMITED; Bavetsias, Vassilios; Atrash, Butrus; Naud, Sébastien Gaston André; Sheldrake, Peter William; Blagg, Julian Patent: US2013/345181 A1, 2013 ; Location in patent: Paragraph 0621; 0625 ;
  • Route2

    References

    • Organic and Biomolecular Chemistry, , vol. 9, # 14 p. 5129 - 5136
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 56, # 24 p. 10045 - 10065

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   1.6476
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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