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CS-W001157 4
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4-Amino-3-(tert-butyl)benzonitrile

  • CAS No. 1369783-60-7

  • Cat. No. CS-0148585
  • Purity≥98%
  • MDL No.None

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

4-Amino-3-(tert-butyl)benzonitrile|CS-0148585

Structure of 1369783-60-7

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General Information

  • CAS No. 1369783-60-7
  • Cat. No. CS-0148585
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄N₂
  • Molecular Weight 174.24
  • Synonym(s) None
  • SMILES N#CC1=CC=C(N)C(C(C)(C)C)=C1

Description

4-Amino-3-(tert-butyl)benzonitrile features a sterically shielded tert-butyl group flanking an electron-rich amino moiety and a nitrile handle. This combination enables robust coupling reactions under standard conditions, delivering functionalized intermediates with high stability and predictable reactivity in synthetic workflows.

Application

4-Amino-3-(tert-butyl)benzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via standard cyclization protocols. The ortho-amino and nitrile groups exhibit complementary reactivity, supporting diverse transformations including amidation, reduction, and electrophilic substitution. Its tert-butyl group provides steric bulk and enhanced bench stability, facilitating straightforward purification and handling in multi-step synthesis.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   2.43798
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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