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CS-W001157 4
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3-(Aminomethyl)benzonitrile

  • CAS No. 10406-24-3

  • Cat. No. CS-W005181
  • Purity≥95%
  • MDL No.MFCD06797832

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

3-(Aminomethyl)benzonitrile|CS-W005181

Structure of 10406-24-3

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General Information

  • CAS No. 10406-24-3
  • Cat. No. CS-W005181
  • Purity ≥95%
  • MDL No. MFCD06797832
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂
  • Molecular Weight 132.16
  • Synonym(s) 3-(Aminomethyl)-benzonitrile
  • SMILES C1=CC=C(C#N)C=C1CN

Description

3-(Aminomethyl)benzonitrile features a strategically positioned nitrile group flanked by an aminomethyl substituent, enabling dual functionalization in synthetic pathways. This ortho-substituted aromatic scaffold offers enhanced solubility and stability under standard conditions, facilitating efficient coupling reactions in medicinal chemistry and materials synthesis.

Application

3-(Aminomethyl)benzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds and bioactive molecules through its compatible nitrile and primary amine functionalities. The molecule exhibits good bench stability and facilitates straightforward functionalization via nucleophilic addition or coupling reactions, supporting efficient synthesis workflows and purification due to its favorable solubility profile.

Synthesis

  • Route1
    • null|null
      328552-90-5
    • ~77%
    • In-stock
      3-(Aminomethyl)benzonitrile|CS-W005181
      10406-24-3

    References

    • Medicure International Inc. Patent: US2006/94749 A1, 2006 ; Location in patent: Page/Page column 11 ;
  • Route2

    References

    • US2008/39658 A1, ; Page/Page column 6 ;
  • Route3
    • null|null
      220324-83-4
    • ~81%
    • In-stock
      3-(Aminomethyl)benzonitrile|CS-W005181
      10406-24-3

    References

    • SCHERING CORPORATION; PHARMACOPEIA, INC. Patent: WO2004/22561 A1, 2004 ; Location in patent: Page 112 ; WO 2004/022561 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H227-H302-H315-H318-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   49.81
  • LogP   1.01698
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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