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Methyl 4-amino-1H-pyrazole-3-carboxylate

  • CAS No. 360056-45-7

  • Cat. No. CS-M2526
  • Purity≥95%
  • MDL No.MFCD02646737

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

Methyl 4-amino-1H-pyrazole-3-carboxylate|CS-M2526

Structure of 360056-45-7

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General Information

  • CAS No. 360056-45-7
  • Cat. No. CS-M2526
  • Purity ≥95%
  • MDL No. MFCD02646737
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇N₃O₂
  • Molecular Weight 141.13
  • Synonym(s) 4-Aminopyrazole-3-carboxylic acid methyl ester
  • SMILES O=C(OC)C1=NNC=C1N

Description

Methyl 4-amino-1H-pyrazole-3-carboxylate features a pyrazole core with complementary amine and ester functionalities, enabling direct incorporation into diverse heterocyclic scaffolds. This bench-stable reagent facilitates efficient access to bioactive compounds through straightforward derivatization under standard conditions.

Application

Methyl 4-amino-1H-pyrazole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrazole-based scaffolds through standard functional group transformations. The amino and ester groups offer orthogonal reactivity for derivatization via coupling, acylation, or cyclization reactions. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for medicinal chemistry campaigns and process development workflows.

Synthesis

  • Route1

    References

    • Takeda Pharmaceutical Company Limited Patent: EP1847531 A1, 2007 ; Location in patent: Page/Page column 40 ; EP 1847531 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

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Computational Chemistry Data

  • TPSA   81
  • LogP   -0.2215
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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