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CS-W001157 4
Total: USD 88.00

2-(2-Aminophenyl)acetonitrile

  • CAS No. 2973-50-4

  • Cat. No. CS-W008009
  • Purity≥95%
  • MDL No.MFCD00091082

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

2-(2-Aminophenyl)acetonitrile|CS-W008009

Structure of 2973-50-4

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General Information

  • CAS No. 2973-50-4
  • Cat. No. CS-W008009
  • Purity ≥95%
  • MDL No. MFCD00091082
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂
  • Molecular Weight None
  • Synonym(s) 2-Aminophenyl Acetonitrile
  • SMILES N#CCC1=CC=CC=C1N

Description

2-(2-Aminophenyl)acetonitrile features a benzene ring bearing both an ortho-aminomethyl and nitrile group, enabling direct integration into transition-metal-catalyzed coupling reactions. The amine functionality facilitates derivatization, while the nitrile group offers high stability under standard bench conditions. This scaffold supports rapid access to complex heterocycles in medicinal chemistry and materials synthesis.

Application

2-(2-Aminophenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling direct access to substituted quinoline and benzodiazepine scaffolds via cyclization reactions. Its ortho-amino and nitrile functionalities offer complementary reactivity for palladium-catalyzed coupling, electrophilic substitution, and condensation processes. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in API 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-H315-H319-H335
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   49.81
  • LogP   1.33488
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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