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CS-W001157 4
Total: USD 88.00

3-Iodopyrazole-4-carboxylic acid ethyl ester

  • CAS No. 827316-43-8

  • Cat. No. CS-M3427
  • Purity≥95%
  • MDL No.MFCD18072591

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

3-Iodopyrazole-4-carboxylic acid ethyl ester|CS-M3427

Structure of 827316-43-8

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General Information

  • CAS No. 827316-43-8
  • Cat. No. CS-M3427
  • Purity ≥95%
  • MDL No. MFCD18072591
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇IN₂O₂
  • Molecular Weight 266.04
  • Synonym(s) Ethyl 3-iodo-1H-pyrazole-4-carboxylate; ETHYL3-IODO-1H-PYRAZOLE-4-CARBOX827316-43-8
  • SMILES O=C(C1=CNN=C1I)OCC

Description

3-Iodopyrazole-4-carboxylic acid ethyl ester features a pyrazole core functionalized with iodine at the 3-position and an ethyl ester at the 4-carboxylic site. This bifunctional scaffold enables direct coupling in cross-coupling reactions and serves as a key intermediate for synthesizing bioactive heterocycles. The iodide group facilitates palladium-catalyzed transformations, while the ester moiety offers stability and tunable reactivity under standard conditions.

Application

3-Iodopyrazole-4-carboxylic acid ethyl ester serves as a versatile building block for the synthesis of pyrazole-based scaffolds in medicinal chemistry. The iodine substituent enables palladium-catalyzed cross-coupling reactions, while the ester group offers compatibility with standard functional group manipulations. This reagent exhibits good bench stability and facilitates efficient incorporation into diverse heterocyclic architectures through established coupling protocols.

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   54.98
  • LogP   1.191
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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