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CS-W001157 4
Total: USD 88.00

4-Methyl-1-naphthonitrile

  • CAS No. 36062-93-8

  • Cat. No. CS-0153104
  • Purity≥98%
  • MDL No.MFCD00079742

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

4-Methyl-1-naphthonitrile|CS-0153104

Structure of 36062-93-8

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General Information

  • CAS No. 36062-93-8
  • Cat. No. CS-0153104
  • Purity ≥98%
  • MDL No. MFCD00079742
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉N
  • Molecular Weight 167.21
  • Synonym(s) 1-Cyano-4-methylnaphthalene
  • SMILES CC1=CC=C(C#N)C2=CC=CC=C12

Description

4-Methyl-1-naphthonitrile features a naphthalene core functionalized with a methyl group at the 4-position and a nitrile moiety at the 1-position. This electron-deficient aromatic system enables efficient coupling in transition metal-catalyzed reactions, while the methyl substituent enhances solubility and stability under standard conditions.

Application

4-Methyl-1-naphthonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized naphthalene scaffolds. Its nitrile group facilitates nucleophilic addition and reduction to primary amines, while the methyl substituent supports electrophilic substitution and oxidative transformations. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • In-stock
      1-Bromo-4-methylnaphthalene|CS-0059152
      6627-78-7
    • null|null
      544-92-3
    • ~87%
    • In-stock
      4-Methyl-1-naphthonitrile|CS-0153104
      36062-93-8

    References

    • Koshiyama, Tomoki; Hirai, Katsuyuki; Tomioka, Hideo Journal of Physical Chemistry A, 2002 , vol. 106, # 43 p. 10261 - 10274
  • Route2
    • null|null
      544-92-3
    • null|null
      95631-55-3
    • ~85%
    • In-stock
      4-Methyl-1-naphthonitrile|CS-0153104
      36062-93-8

    References

    • Taylor, Edward C.; Katz, Alan H.; McKillop, Alexander Tetrahedron Letters, 1984 , vol. 25, # 48 p. 5473 - 5476
  • Route3
    • null|null
      143-33-9
    • null|null
      90-12-0
    • ~65%
    • In-stock
      4-Methyl-1-naphthonitrile|CS-0153104
      36062-93-8

    References

    • Yasuda, Masahide; Pac, Chyondgjin; Sakurai, Hiroshi Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 746 - 750

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-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.0199
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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