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3-(6-Chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid

  • CAS No. 351003-03-7

  • Cat. No. CS-0197179
  • Molecule weight255.65
  • Purity≥98%
  • MDL No.None

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

3-(6-Chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid|CS-0197179

Structure of 351003-03-7

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General Information

  • CAS No. 351003-03-7
  • Cat. No. CS-0197179
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀ClNO₄
  • Molecular Weight 255.65
  • Synonym(s) 6-Chloro-2,3-Dihydro-3-Oxo-4H-1,4-Benzoxazine-4-Propionic Acid
  • SMILES C1=CC2=C(C=C1Cl)N(CCC(=O)O)C(=O)CO2

Description

This 3-(6-chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid integrates a chlorinated oxazine core with a propionic acid side chain, offering enhanced solubility and stability for medicinal chemistry applications. The electron-deficient oxazine ring enables efficient coupling reactions, while the carboxylic acid group facilitates conjugation in synthetic pathways.

Application

3-(6-Chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid serves as a versatile building block for constructing bioactive heterocyclic scaffolds. Its carboxylic acid functionality enables direct coupling reactions and derivatization, while the fused oxazinone core provides structural rigidity and metabolic stability. The 6-chloro substituent offers a handle for further functionalization via nucleophilic substitution. This compound exhibits bench stability and compatibility with standard synthetic protocols, facilitating integration into medicinal chemistry and process development workflows.

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

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Computational Chemistry Data

  • TPSA   66.84
  • LogP   1.5401
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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