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CS-W001157 4
Total: USD 88.00

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole

  • CAS No. 1251459-71-8

  • Cat. No. CS-0174594
  • Purity≥97%
  • MDL No.None
  • HazMat Fee +

    HazMat Fee

    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, except in the following scenarios:

    The shipment is processed through FedEx Ground under the Limited Quantity option.

    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.

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole|CS-0174594

Structure of 1251459-71-8

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Description

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole integrates a boronate ester moiety with an electron-deficient isothiazole ring, enabling direct coupling in palladium-catalyzed cross-coupling reactions. This bench-stable reagent delivers efficient access to diverse heteroaryl architectures under standard conditions.

Application

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole serves as a stable, bench-friendly boronate building block for Suzuki-Miyaura coupling reactions. Its isothiazole core provides orthogonal reactivity and enhances metabolic stability in medicinal chemistry applications. The tetramethyl-substituted dioxaborolane moiety ensures high functional group tolerance, minimal protodeboronation, and compatibility with diverse reaction conditions. This compound enables efficient construction of biaryl and heteroaryl scaffolds in drug discovery and materials science workflows.

General Information

  • CAS No. 1251459-71-8
  • Cat. No. CS-0174594
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄BNO₂S
  • Molecular Weight 211.09
  • Synonym(s) Isothazole-4-boronic acid pinacol ester
  • SMILES CC1(C(C)(OB(O1)C2=CSN=C2)C)C

Computational Chemistry Data

  • TPSA   31.35
  • LogP   1.4423
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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-P330-P362+P364-P405-P501

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