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CS-W001157 4
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4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid

  • CAS No. 532391-89-2

  • Cat. No. CS-0096421
  • Purity≥97%
  • MDL No.None

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

4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid|CS-0096421

Structure of 532391-89-2

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General Information

  • CAS No. 532391-89-2
  • Cat. No. CS-0096421
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₃
  • Molecular Weight 193.20
  • Synonym(s) 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
  • SMILES O=C(C1=CC=C2N(C)CCOC2=C1)O

Description

This bench-stable heterocyclic carboxylic acid features a fused oxazine ring system with a methyl substituent at the 4-position, enhancing electronic delocalization. The para-carboxyl group enables direct coupling in peptide synthesis and medicinal chemistry scaffolds.

Application

4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and process development. Its fused oxazine scaffold provides structural rigidity and favorable pharmacokinetic properties, while the carboxylic acid functionality enables facile derivatization via amide coupling, esterification, or salt formation. The methyl group enhances metabolic stability and modulates lipophilicity. Bench-stable and compatible with standard synthetic protocols, it facilitates efficient access to diverse analogs in lead optimization campaigns.

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   49.77
  • LogP   1.2134
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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