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CS-W001157 4
Total: USD 88.00

2-(Hydroxymethyl)isonicotinonitrile

  • CAS No. 51454-63-8

  • Cat. No. CS-0096326
  • Purity≥98%
  • MDL No.MFCD07774127

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

2-(Hydroxymethyl)isonicotinonitrile|CS-0096326

Structure of 51454-63-8

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General Information

  • CAS No. 51454-63-8
  • Cat. No. CS-0096326
  • Purity ≥98%
  • MDL No. MFCD07774127
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O
  • Molecular Weight 134.14
  • Synonym(s) 4-CYNO-PYRIDINE-2-METHANOL
  • SMILES OCC1=NC=CC(C#N)=C1

Description

2-(Hydroxymethyl)isonicotinonitrile features a pyridine ring bearing both nitrile and hydroxymethyl functional groups in the meta orientation, enabling dual reactivity. This bench-stable derivative integrates readily into synthetic sequences requiring polar, electron-deficient heterocycles with tailored handle sites for downstream conjugation or transformation.

Application

2-(Hydroxymethyl)isonicotinonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to pyridine-based scaffolds through established transformations. Its nitrile and hydroxymethyl functionalities offer orthogonal reactivity, facilitating selective derivatization under mild conditions. The compound exhibits good bench stability and compatibility with common protecting group strategies, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

Synthesis

  • Route1
    • In-stock
      Isonicotinonitrile|CS-0015782
      100-48-1
    • null|null
      67-56-1
    • ~38%
    • In-stock
      2-(Hydroxymethyl)isonicotinonitrile|CS-0096326
      51454-63-8

    References

    • SHIONOGI and CO., LTD.; EURO-CELTIQUE S.A Patent: WO2008/8398 A2, 2008 ; Location in patent: Page/Page column 356 ;
  • Route2
    • null|null
      51454-62-7
    • ~70%
    • In-stock
      2-(Hydroxymethyl)isonicotinonitrile|CS-0096326
      51454-63-8

    References

    • Ashimori; Ono; Uchida; Ohtaki; Fukaya; Watanabe; Yokoyama Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 9 p. 2446 - 2458
  • Route3

    References

    • KUDOS PHARMACEUTICALS LIMITED Patent: WO2006/21801 A1, 2006 ; Location in patent: Page/Page column 65-66 ; WO 2006/021801 A1

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
Precautionary Statements : P264-P270-P330-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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