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CS-W001157 4
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Methyl 2-ethynylisonicotinate

  • CAS No. 1256810-92-0

  • Cat. No. CS-0043881
  • Molecule weight161.16
  • Purity≥98%
  • MDL No.MFCD18256144

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

Methyl 2-ethynylisonicotinate|CS-0043881

Structure of 1256810-92-0

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General Information

  • CAS No. 1256810-92-0
  • Cat. No. CS-0043881
  • Purity ≥98%
  • MDL No. MFCD18256144
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) 4-Pyridinecarboxylic acid, 2-ethynyl-, methyl ester
  • SMILES O=C(OC)C1=CC=NC(C#C)=C1

Description

Methyl 2-ethynylisonicotinate is a versatile pyridine-based building block featuring a terminal alkyne group ortho to the ester functionality. This configuration enables efficient copper-catalyzed coupling reactions, facilitating rapid access to complex heterocyclic architectures in medicinal chemistry and materials science applications. The molecule exhibits enhanced stability under standard handling conditions and integrates readily into diverse synthetic sequences.

Application

Methyl 2-ethynylisonicotinate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted pyridines and heterocyclic scaffolds via transition-metal-catalyzed coupling reactions. Its conjugated alkyne functionality exhibits excellent stability under standard bench conditions and tolerates a range of functional groups, facilitating straightforward purification and integration into complex molecular architectures.

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-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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Computational Chemistry Data

  • TPSA   39.19
  • LogP   0.8495
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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