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CS-W001157 4
Total: USD 88.00

6-(Hydroxymethyl)nicotinonitrile

  • CAS No. 31795-61-6

  • Cat. No. CS-0080086
  • Purity≥96%
  • MDL No.MFCD11100746

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

6-(Hydroxymethyl)nicotinonitrile|CS-0080086

Structure of 31795-61-6

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General Information

  • CAS No. 31795-61-6
  • Cat. No. CS-0080086
  • Purity ≥96%
  • MDL No. MFCD11100746
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O
  • Molecular Weight 134.14
  • Synonym(s) 6-hydroxymethylpyridine-3-carbonitrile
  • SMILES N#CC1=CC=C(CO)N=C1

Description

6-(Hydroxymethyl)nicotinonitrile features a pyridine ring bearing both nitrile and hydroxymethyl functional groups, enabling direct incorporation into bioactive scaffolds. This bench-stable derivative facilitates efficient synthesis of vitamin B3 analogs and other heterocyclic compounds under standard conditions.

Application

6-(Hydroxymethyl)nicotinonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to pyridine-based scaffolds through functional group interconversion. The nitrile and hydroxymethyl groups offer orthogonal reactivity—facilitating amide formation, oxidation to carboxylic acid, or substitution reactions—while maintaining bench stability and compatibility with standard purification protocols.

Synthesis

  • Route1
    • null|null
      31795-60-5
    • ~90%
    • In-stock
      6-(Hydroxymethyl)nicotinonitrile|CS-0080086
      31795-61-6

    References

    • BAYER HEALTHCARE AG Patent: WO2004/20412 A1, 2004 ; Location in patent: Page 47 ; WO 2004/020412 A1
  • Route2
    • In-stock
      5-Bromo-2-(hydroxymethyl)pyridine|CS-D0982
      88139-91-7
    • null|null
      143-33-9
    • ~47%
    • In-stock
      6-(Hydroxymethyl)nicotinonitrile|CS-0080086
      31795-61-6

    References

    • SCHERING CORPORATION Patent: WO2006/60461 A1, 2006 ; Location in patent: Page/Page column 165-166 ; WO 2006/060461 A1
  • Route3
    • null|null
      100-54-9
    • null|null
      67-56-1
    • ~%
    • In-stock
      6-(Hydroxymethyl)nicotinonitrile|CS-0080086
      31795-61-6

    References

    • Sugimori, Akira; Mori, Shoji; Maeda, Kazuo; Nishijima, Masayuki Chemistry Letters, 1984 , p. 769 - 772

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.91
  • LogP   0.44558
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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