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CS-W001157 4
Total: USD 88.00

4,4-Dimethylpent-2-ynoic acid

  • CAS No. 52418-50-5

  • Cat. No. CS-0371341
  • Purity≥95%
  • MDL No.None
  • 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.

4,4-Dimethylpent-2-ynoic acid|CS-0371341

Structure of 52418-50-5

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Description

4,4-Dimethylpent-2-ynoic acid features a terminal alkyne group flanked by a sterically hindered dimethyl-substituted carbon chain, enhancing stability and reducing unwanted side reactions. This structural rigidity facilitates selective coupling in synthetic transformations, particularly in Sonogashira cross-coupling protocols. The carboxylic acid moiety enables direct derivatization or activation for peptide and polymer conjugation.

Application

4,4-Dimethylpent-2-ynoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to α,β-unsaturated carboxylic acids and alkynylated heterocycles. Its terminal alkyne functionality facilitates palladium-catalyzed coupling reactions, while the sterically hindered gem-dimethyl group enhances stability and simplifies purification. The molecule functions reliably in standard transformations including esterification, amidation, and metalation, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

General Information

  • CAS No. 52418-50-5
  • Cat. No. CS-0371341
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₂
  • Molecular Weight 126.15
  • Synonym(s) 4,4-diMethyl-2-pentynoic acid
  • SMILES CC(C)(C)C#CC(O)=O

Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.1205
  • H_Acceptors   1
  • H_Donors   1
  • 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-P330-P362-P405-P501

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