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3-Amino-2-methoxybenzonitrile

  • CAS No. 725718-10-5

  • Cat. No. CS-0567164
  • Purity≥98%
  • MDL No.MFCD18389725

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

3-Amino-2-methoxybenzonitrile|CS-0567164

Structure of 725718-10-5

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General Information

  • CAS No. 725718-10-5
  • Cat. No. CS-0567164
  • Purity ≥98%
  • MDL No. MFCD18389725
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O
  • Molecular Weight 148.16
  • Synonym(s) o-Anisonitrile, 3-amino- (5CI)
  • SMILES N#CC1=CC=CC(N)=C1OC

Description

3-Amino-2-methoxybenzonitrile features a strategically positioned amino group and methoxy substituent flanking a nitrile handle, enabling direct incorporation into heterocyclic scaffolds. This electron-rich aromatic core facilitates efficient coupling reactions under mild conditions, delivering functionalized intermediates for medicinal chemistry applications.

Application

3-Amino-2-methoxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling access to diverse heterocyclic scaffolds through its orthogonal functionality. The amino and methoxy groups facilitate electrophilic substitution and directed metalation, while the nitrile group supports transformations into carboxylic acids, amides, or heterocycles. Its bench-stable nature and compatibility with standard coupling reactions make it well-suited for multi-step synthesis and process development.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   59.04
  • LogP   1.14908
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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