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CS-W001157 4
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3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid

  • CAS No. 214848-62-1

  • Cat. No. CS-W000709
  • Purity≥98%
  • MDL No.MFCD07774185

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

3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid|CS-W000709

Structure of 214848-62-1

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General Information

  • CAS No. 214848-62-1
  • Cat. No. CS-W000709
  • Purity ≥98%
  • MDL No. MFCD07774185
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₄
  • Molecular Weight 193.16
  • Synonym(s) 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylicacid
  • SMILES O=C1COc2c(N1)ccc(c2)C(=O)O

Description

This benzoxazine derivative features a conjugated carbonyl and carboxylic acid moiety, enabling direct integration into peptide and macrocyclic scaffolds. The electron-deficient ring system enhances reactivity in nucleophilic displacement reactions, while the bench-stable structure simplifies handling in synthetic workflows.

Application

3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocyclic scaffolds. Its carboxylic acid and ketone functionalities offer orthogonal reactivity for peptide coupling, derivatization, and cyclization reactions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns and API intermediate development.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   0.7157
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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