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CS-W001157 4
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tert-Butyl 4-(hydroxymethyl)-1h-pyrazole-1-carboxylate

  • CAS No. 199003-22-0

  • Cat. No. CS-0048246
  • Purity≥95%
  • MDL No.MFCD24335255

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

tert-Butyl 4-(hydroxymethyl)-1h-pyrazole-1-carboxylate|CS-0048246

Structure of 199003-22-0

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General Information

  • CAS No. 199003-22-0
  • Cat. No. CS-0048246
  • Purity ≥95%
  • MDL No. MFCD24335255
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄N₂O₃
  • Molecular Weight None
  • Synonym(s) tert-Butyl 4-(hydroxymethyl)pyrazole-1-carboxylate
  • SMILES CC(C)(C)OC(=O)N1C=C(CO)C=N1

Description

tert-Butyl 4-(hydroxymethyl)-1H-pyrazole-1-carboxylate features a pyrazole core with a pendant hydroxymethyl group, enabling downstream functionalization through oxidation or coupling reactions. The tert-butyl ester confers enhanced stability and solubility in organic media, simplifying purification and handling under standard conditions.

Application

tert-Butyl 4-(hydroxymethyl)-1H-pyrazole-1-carboxylate serves as a versatile building block for pyrazole-based scaffolds, enabling efficient functionalization at the C4 position. The hydroxymethyl group facilitates oxidation to carboxylic acid or conversion to other polar functionalities, while the tert-butyl ester supports orthogonal deprotection under mild acidic conditions. Its stability and ease of purification make it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Safety Information

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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   64.35
  • LogP   1.1586
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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