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CS-W001157 4
Total: USD 88.00

4-(4-Iodo-1H-pyrazol-1-yl)cyclohexanone

  • CAS No. 1227611-94-0

  • Cat. No. CS-0160984
  • Purity≥98%
  • MDL No.MFCD29054490

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

4-(4-Iodo-1H-pyrazol-1-yl)cyclohexanone|CS-0160984

Structure of 1227611-94-0

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General Information

  • CAS No. 1227611-94-0
  • Cat. No. CS-0160984
  • Purity ≥98%
  • MDL No. MFCD29054490
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁IN₂O
  • Molecular Weight 290.10
  • Synonym(s) 4-(4-iodopyrazol-1-yl)cyclohexanone
  • SMILES O=C1CCC(N2N=CC(I)=C2)CC1

Description

4-(4-Iodo-1H-pyrazol-1-yl)cyclohexanone features a reactive iodo-substituted pyrazole moiety integrated with a cyclohexanone scaffold, enabling direct coupling in cross-coupling reactions. The electron-deficient pyrazole ring enhances reactivity in palladium-catalyzed transformations, while the ketone functionality offers versatility for downstream derivatization. This bench-stable compound serves as a key intermediate in medicinal chemistry and materials synthesis.

Application

4-(4-Iodo-1H-pyrazol-1-yl)cyclohexanone serves as a versatile building block for the synthesis of biologically relevant heterocyclic scaffolds. The iodo-pyrazole moiety enables efficient palladium-catalyzed cross-coupling reactions, while the cyclohexanone ring provides a stable, functionalized platform for further derivatization. Bench-stable and compatible with standard synthetic workflows, it facilitates rapid access to diverse molecular architectures in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   2.1719
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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