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CS-W001157 4
Total: USD 88.00

Methyl 3-(4-Ethynylphenyl)propanoate

  • CAS No. 1068471-18-0

  • Cat. No. CS-0158562
  • Purity≥97%
  • MDL No.MFCD26398532
  • HazMat Fee +

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    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.

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

Methyl 3-(4-Ethynylphenyl)propanoate|CS-0158562

Structure of 1068471-18-0

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Description

Methyl 3-(4-Ethynylphenyl)propanoate features a conjugated ethynyl group directly linked to a phenyl ring, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC). This alkyne functionality integrates readily into bioconjugation workflows and polymer architectures. The methyl ester provides stability and handles well under standard bench conditions.

Application

Methyl 3-(4-Ethynylphenyl)propanoate serves as a versatile building block for transition-metal-catalyzed coupling reactions, enabling efficient access to conjugated aryl-alkyne architectures. Its terminal alkyne functionality facilitates Sonogashira and Glaser-type couplings, while the ester group supports subsequent transformations including hydrolysis and derivatization. The compound exhibits excellent bench stability, mild handling requirements, and straightforward purification by distillation or flash chromatography, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

General Information

  • CAS No. 1068471-18-0
  • Cat. No. CS-0158562
  • Purity ≥97%
  • MDL No. MFCD26398532
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₂
  • Molecular Weight 188.22
  • Synonym(s) Benzenepropanoic acid, 4-ethynyl-, methyl ester
  • SMILES C#CC1=CC=C(C=C1)CCC(=O)OC

Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.7735
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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