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CS-W001157 4
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Ethyl 3-[[3-amino-4-(methylamino)benzoyl](pyridin-2-yl)amino]propionate

  • CAS No. 212322-56-0

  • Cat. No. CS-M1650
  • Purity≥98%
  • MDL No.MFCD09833624

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

Ethyl 3-[[3-amino-4-(methylamino)benzoyl](pyridin-2-yl)amino]propionate|CS-M1650

Structure of 212322-56-0

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General Information

  • CAS No. 212322-56-0
  • Cat. No. CS-M1650
  • Purity ≥98%
  • MDL No. MFCD09833624
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₂N₄O₃
  • Molecular Weight 342.39
  • Synonym(s) N-[3-amino-4-(methylamino)benzoyl]-N-2-pyridinyl-beta-Alanine ethyl ester
  • SMILES O=C(OCC)CCN(C(C1=CC=C(NC)C(N)=C1)=O)C2=NC=CC=C2

Description

Ethyl 3-[[3-amino-4-(methylamino)benzoyl](pyridin-2-yl)amino]propionate features a conjugated aryl-pyridine scaffold with dual amine functionalities, enabling robust coordination in transition metal catalysis. The ethyl ester group provides enhanced solubility and stability under standard conditions, facilitating integration into complex molecular architectures.

Application

Ethyl 3-[[3-amino-4-(methylamino)benzoyl](pyridin-2-yl)amino]propionate serves as a versatile building block for constructing bioactive heterocyclic scaffolds, enabling efficient amide coupling and cyclization reactions. Its ortho-aminobenzoyl functionality facilitates directed metalation and transition-metal-catalyzed transformations, while the pyridin-2-yl amino group enhances solubility and provides a handle for further derivatization. The molecule exhibits bench stability and compatibility with standard purification protocols, making it suitable for medicinal chemistry campaigns and API intermediate synthesis.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   97.55
  • LogP   2.3055
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   7

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