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CS-W001157 4
Total: USD 88.00

2-Amino-4-cyanobenzoic acid

  • CAS No. 64630-00-8

  • Cat. No. CS-0102040
  • Purity≥95%
  • MDL No.MFCD20638913

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

2-Amino-4-cyanobenzoic acid|CS-0102040

Structure of 64630-00-8

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General Information

  • CAS No. 64630-00-8
  • Cat. No. CS-0102040
  • Purity ≥95%
  • MDL No. MFCD20638913
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₂
  • Molecular Weight 162.15
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(C#N)C=C1N

Description

2-Amino-4-cyanobenzoic acid features a strategically positioned amino group and cyano functionality flanking a carboxylic acid moiety, enabling versatile conjugation in synthetic routes. This electron-deficient aromatic scaffold integrates readily into bioactive molecule frameworks, offering enhanced solubility and stability under standard conditions.

Application

2-Amino-4-cyanobenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of heterocyclic scaffolds through cyclization and coupling reactions. Its orthogonal functional groups—amino, cyano, and carboxylic acid—facilitate sequential transformations under mild conditions, offering high stability and ease of purification. This compound functions effectively in peptide coupling, Ugi-type multicomponent reactions, and transition-metal-catalyzed cross-couplings, making it a practical choice for API intermediate development and library synthesis.

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   87.11
  • LogP   0.83868
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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