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CS-W001157 4
Total: USD 88.00

5-Amino-1-(tert-butyl)-1H-pyrazole-4-carbonitrile

  • CAS No. 158001-28-6

  • Cat. No. CS-0039033
  • Purity≥95%
  • MDL No.MFCD00128289

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

5-Amino-1-(tert-butyl)-1H-pyrazole-4-carbonitrile|CS-0039033

Structure of 158001-28-6

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General Information

  • CAS No. 158001-28-6
  • Cat. No. CS-0039033
  • Purity ≥95%
  • MDL No. MFCD00128289
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₄
  • Molecular Weight 164.21
  • Synonym(s) 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
  • SMILES CC(C)(C)N1C(=C(C#N)C=N1)N

Synthesis

  • Route1
    • null|null
      32064-67-8
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • ~82%
    • In-stock
      5-Amino-1-(tert-butyl)-1H-pyrazole-4-carbonitrile|CS-0039033
      158001-28-6

    References

    • Todorovic, Nick; Awuah, Emelia; Shakya, Tushar; Wright, Gerard D.; Capretta, Alfredo Tetrahedron Letters, 2011 , vol. 52, # 44 p. 5761 - 5763
  • Route2
    • In-stock
      tert-Butylhydrazine hydrochloride|CS-W004055
      7400-27-3
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • ~83%
    • In-stock
      5-Amino-1-(tert-butyl)-1H-pyrazole-4-carbonitrile|CS-0039033
      158001-28-6

    References

    • Bobko, Mark A.; Kaura, Arun C.; Evans, Karen A.; Su, Dai-Shi Organic Letters, 2012 , vol. 14, # 15 p. 3906 - 3908

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-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   67.63
  • LogP   1.09198
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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