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CS-W001157 4
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5-Methylpyrazine-2-carbonitrile

  • CAS No. 98006-91-8

  • Cat. No. CS-0012682
  • Purity≥97%
  • MDL No.MFCD04116510

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

5-Methylpyrazine-2-carbonitrile|CS-0012682

Structure of 98006-91-8

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General Information

  • CAS No. 98006-91-8
  • Cat. No. CS-0012682
  • Purity ≥97%
  • MDL No. MFCD04116510
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅N₃
  • Molecular Weight 119.12
  • Synonym(s) None
  • SMILES N#CC1=NC=C(C)N=C1

Description

5-Methylpyrazine-2-carbonitrile features a pyrazine core with complementary electron-deficient and alkyl functionalities, enabling efficient integration into heterocyclic scaffolds. This bench-stable, moisture-tolerant reagent facilitates direct coupling in synthetic sequences requiring nitrile-directed regiocontrol.

Application

5-Methylpyrazine-2-carbonitrile serves as a versatile heterocyclic building block in medicinal chemistry and agrochemical synthesis. The pyrazine core provides a rigid, electron-deficient platform for transition metal-catalyzed couplings, while the nitrile and methyl groups offer orthogonal handles for functionalization. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient access to complex scaffolds.

Synthesis

  • Route1
    • null|null
      25594-37-0
    • null|null
      7677-24-9
    • ~3%
    • 3-Methylpyrazine-2-carbonitrile|CS-0246175
      65735-15-1
    • In-stock
      5-Methylpyrazine-2-carbonitrile|CS-0012682
      98006-91-8

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 11 p. 2877 - 2882

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   0.6567
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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