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CS-W001157 4
Total: USD 88.00

2-Chloro-4-methoxynicotinonitrile

  • CAS No. 98645-43-3

  • Cat. No. CS-D0323
  • Purity≥97%
  • MDL No.MFCD00975444

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

2-Chloro-4-methoxynicotinonitrile|CS-D0323

Structure of 98645-43-3

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General Information

  • CAS No. 98645-43-3
  • Cat. No. CS-D0323
  • Purity ≥97%
  • MDL No. MFCD00975444
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₂O
  • Molecular Weight 168.58
  • Synonym(s) 2-chloro-4-methoxypyridine-3-carbonitrile
  • SMILES N#CC1=C(OC)C=CN=C1Cl

Description

2-Chloro-4-methoxynicotinonitrile features a strategically positioned nitrile group and chloro substituent on a pyridine scaffold, enabling direct integration into heterocyclic scaffolds. The methoxy functionality enhances solubility and modulates electronic properties, supporting efficient coupling in synthetic sequences under standard conditions.

Application

2-Chloro-4-methoxynicotinonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted pyridine scaffolds via nucleophilic displacement and cross-coupling reactions. The ortho-chloro group facilitates regioselective functionalization, while the nitrile and methoxy substituents offer complementary reactivity for downstream transformations. Its bench stability and compatibility with standard reaction conditions make it ideal for modular synthesis of bioactive heterocycles and API intermediates.

Synthesis

  • Route1

    References

    • Sankyo Company, Limited Patent: EP1764367 A1, 2007 ; Location in patent: Page/Page column 142 ;
  • Route2

    References

    • Mittelbach; Kastner; Junek Archiv der Pharmazie, 1985 , vol. 318, # 6 p. 481 - 486
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 48, # 23 p. 7374 - 7388

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   45.91
  • LogP   1.61528
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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