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CS-W001157 4
Total: USD 88.00

1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole

  • CAS No. 575452-22-1

  • Cat. No. CS-D0585
  • Molecule weight266.08
  • Purity≥97%
  • MDL No.MFCD22123601

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

1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole|CS-D0585

Structure of 575452-22-1

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General Information

  • CAS No. 575452-22-1
  • Cat. No. CS-D0585
  • Purity ≥97%
  • MDL No. MFCD22123601
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁IN₂O
  • Molecular Weight 266.08
  • Synonym(s) 1-(1-Ethoxyethyl)-4-iodopyrazole
  • SMILES CCOC(N1C=C(C=N1)I)C

Description

1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole features a pyrazole core functionalized with an electron-deficient iodine at C4 and a bench-stable ethoxyethyl group at N1, enabling direct incorporation into cross-coupling reactions. The pendant alkoxy substituent enhances solubility in organic media while maintaining stability under standard handling conditions.

Application

1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole serves as a versatile building block for constructing substituted pyrazole scaffolds in medicinal chemistry. The iodine moiety enables reliable cross-coupling reactions, while the 1-(1-ethoxyethyl) group provides stability and facilitates purification. Its bench-stable nature and compatibility with standard transition-metal-catalyzed transformations make it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • In-stock
      4-Iodopyrazole|CS-W008950
      3469-69-0
    • null|null
      109-92-2
    • ~98%
    • In-stock
      1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole|CS-D0585
      575452-22-1

    References

    • Taydakov, Ilya V.; Krasnoselskiy, Sergey S.; Dutova, Tatiana Y. Synthetic Communications, 2011 , vol. 41, # 16 p. 2430 - 2434

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   27.05
  • LogP   2.0427
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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