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CS-W001157 4
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2-Amino-3-methoxybenzonitrile

  • CAS No. 148932-68-7

  • Cat. No. CS-W021551
  • Purity≥96%
  • MDL No.MFCD09744022

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

2-Amino-3-methoxybenzonitrile|CS-W021551

Structure of 148932-68-7

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General Information

  • CAS No. 148932-68-7
  • Cat. No. CS-W021551
  • Purity ≥96%
  • MDL No. MFCD09744022
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O
  • Molecular Weight 148.16
  • Synonym(s) Benzonitrile, 2-amino-3-methoxy- (9CI)
  • SMILES N#CC1=CC=CC(OC)=C1N

Description

2-Amino-3-methoxybenzonitrile features a strategically positioned amino group and methoxy substituent flanking a nitrile handle, enabling efficient coupling in heterocyclic synthesis. This electron-rich scaffold supports direct functionalization and integration into bioactive scaffolds under standard conditions.

Application

2-Amino-3-methoxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling access to diverse heterocyclic scaffolds through cyclization and coupling reactions. Its ortho-directed reactivity facilitates regioselective functionalization, while the amino and nitrile groups offer complementary handles for further derivatization. The compound exhibits good bench stability and is readily purified by crystallization or column chromatography, supporting its utility in multi-step syntheses.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-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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