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Methyl 2-acetylisonicotinate

  • CAS No. 138715-82-9

  • Cat. No. CS-0043679
  • Purity≥97%
  • MDL No.MFCD09032412

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

Methyl 2-acetylisonicotinate|CS-0043679

Structure of 138715-82-9

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General Information

  • CAS No. 138715-82-9
  • Cat. No. CS-0043679
  • Purity ≥97%
  • MDL No. MFCD09032412
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₃
  • Molecular Weight 179.17
  • Synonym(s) Methyl-2-acetylisonicotinat
  • SMILES C(C)(=O)C1=NC=CC(=C1)C(=O)OC

Description

Methyl 2-acetylisonicotinate features a pyridine ring bearing acetyl and ester functionalities at the 2-position, enabling direct integration into heterocyclic synthesis. This bench-stable derivative serves as a key intermediate for bioactive molecule construction, particularly in pharmaceutical and agrochemical research.

Application

Methyl 2-acetylisonicotinate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of heterocyclic scaffolds and functionalized aromatic systems. Its acetyl group facilitates electrophilic substitution and condensation reactions, while the ester moiety supports selective transformations under mild conditions. The compound exhibits excellent bench stability and is compatible with common coupling and cyclization protocols, making it a practical choice for medicinal chemistry and process development workflows.

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   56.26
  • LogP   1.0708
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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