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CS-W001157 4
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5-Amino-2-methoxy-4-methylbenzonitrile

  • CAS No. 2122548-84-7

  • Cat. No. CS-0528848
  • Molecule weight162.19
  • Purity≥98%
  • MDL No.None

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

5-Amino-2-methoxy-4-methylbenzonitrile|CS-0528848

Structure of 2122548-84-7

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General Information

  • CAS No. 2122548-84-7
  • Cat. No. CS-0528848
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O
  • Molecular Weight 162.19
  • Synonym(s) 5-Amino-2-methoxy-4-methyl-benzonitrile
  • SMILES N#CC1=CC(N)=C(C)C=C1OC

Description

5-Amino-2-methoxy-4-methylbenzonitrile features a strategically positioned amino group enabling direct coupling in heterocycle synthesis, while the methoxy and methyl substituents enhance electron density at the aromatic ring. The nitrile moiety provides a handle for nucleophilic transformations. This scaffold offers high stability under standard conditions and facilitates efficient derivatization in medicinal chemistry campaigns.

Application

5-Amino-2-methoxy-4-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds. The molecule combines ortho-directed reactivity from the amino and nitrile groups with enhanced stability and ease of purification due to its bench-stable functionalization profile. Its compatibility with standard coupling and cyclization protocols makes it valuable for lead optimization campaigns requiring rapid analog generation.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   59.04
  • LogP   1.4575
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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