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CS-W001157 4
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tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate

  • CAS No. 121669-70-3

  • Cat. No. CS-W005556
  • Purity≥95%
  • MDL No.MFCD05663855
  • HazMat Fee +

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    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

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

tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate|CS-W005556

Structure of 121669-70-3

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Description

tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate features a bench-stable pyrazole core functionalized with a reactive iodide at the 4-position, enabling direct coupling in cross-coupling reactions. The tert-butyl ester group offers enhanced solubility and stability during synthetic manipulations, facilitating efficient incorporation into complex molecular architectures.

Application

tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate serves as a versatile building block for the synthesis of functionalized pyrazole scaffolds. The iodine substituent enables efficient palladium-catalyzed cross-coupling reactions, including Suzuki-Miyaura and Sonogashira couplings, facilitating rapid diversification. The tert-butyl carbamate group provides excellent stability under basic conditions and can be readily removed via acidolysis to yield the free amine. This reagent exhibits high bench stability, ease of purification, and broad compatibility with common functional groups, making it ideal for iterative synthesis in medicinal chemistry and process development workflows.

General Information

  • CAS No. 121669-70-3
  • Cat. No. CS-W005556
  • Purity ≥95%
  • MDL No. MFCD05663855
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁IN₂O₂
  • Molecular Weight 294.09
  • Synonym(s) tert-Butyl-4-iodo-1H-pyrazole-1-carboxylate
  • SMILES CC(C)(C)OC(=O)N1C=C(I)C=N1

Computational Chemistry Data

  • TPSA   44.12
  • LogP   2.2709
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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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