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CS-W001157 4
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3-Amino-5-tert-butylpyrazole

  • CAS No. 82560-12-1

  • Cat. No. CS-W019548
  • Purity≥98%
  • MDL No.MFCD00082631

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

3-Amino-5-tert-butylpyrazole|CS-W019548

Structure of 82560-12-1

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General Information

  • CAS No. 82560-12-1
  • Cat. No. CS-W019548
  • Purity ≥98%
  • MDL No. MFCD00082631
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃N₃
  • Molecular Weight 139.20
  • Synonym(s) IFLAB-BB F2108-0129
  • SMILES C1=C(C(C)(C)C)[NH]N=C1N

Description

3-Amino-5-tert-butylpyrazole features a sterically hindered tert-butyl group flanking a pyrazole core, enhancing stability and solubility in organic media. The amino substituent enables direct coupling in heterocyclic synthesis, while the electron-rich ring facilitates metal coordination. This scaffold integrates readily into functionalized building blocks for medicinal chemistry and materials applications.

Application

3-Amino-5-tert-butylpyrazole serves as a versatile heterocyclic building block for medicinal chemistry and catalyst development. Its pyrazole core provides robust stability and orthogonality in multistep syntheses, while the amino group enables facile derivatization via acylation, alkylation, or coupling reactions. The tert-butyl substituent enhances solubility and steric protection, facilitating purification and improving metabolic stability in downstream applications.

Synthesis

  • Route1

    References

    • MERCK SHARP and; DOHME CORP.; BANYU PHARMACEUTICAL CO., LTD.; FAN, Weiming; HAXELL, Thomas, F. N.; JENKS, Matthew, G.; KAWANISHI, Nobuhiko; LEE, Shuliang; LIU, Hao; MALASKA, Michael, J.; MOORE, Joseph, A., III; OGINO, Yoshio; ONOZAKI, Yu; PANDI, Bharathi; PEEL, Michael, R.; SAKAMOTO, Toshihiro; SIU, Tony Patent: WO2010/104933 A1, 2010 ; Location in patent: Page/Page column 240 ;
  • Route2
    • In-stock
      Pyvaolylacetonitrile|CS-0029522
      59997-51-2
    • null|null
      7803-57-8
    • ~89%
    • In-stock
      3-Amino-5-tert-butylpyrazole|CS-W019548
      82560-12-1

    References

    • GRÜNENTHAL GMBH; FRANK, Robert; CHRISTOPH, Thomas; DAMANN, Nils; LESCH, Bernhard; BAHRENBERG, Gregor; SAUNDERS, Derek John; STOCKHAUSEN, Hannelore; KIM, Yong-Soo; KIM, Myeong-Seop; LEE, Jeewoo Patent: WO2013/68464 A1, 2013 ; Location in patent: Page/Page column 48 ;
  • Route3
    • null|null
      3282-30-2
    • ~%
    • In-stock
      3-Amino-5-tert-butylpyrazole|CS-W019548
      82560-12-1

    References

    • US2012/46301 A1, ; US 20120046301 A1

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   54.7
  • LogP   1.2894
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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