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CS-W001157 4
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2-(2,4-Dioxo-1,3-diazinan-1-yl)acetic acid

  • CAS No. 1311314-41-6

  • Cat. No. CS-0259694
  • Molecule weight172.14
  • Purity≥97%
  • MDL No.None

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

2-(2,4-Dioxo-1,3-diazinan-1-yl)acetic acid|CS-0259694

Structure of 1311314-41-6

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General Information

  • CAS No. 1311314-41-6
  • Cat. No. CS-0259694
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₄
  • Molecular Weight 172.14
  • Synonym(s) None
  • SMILES O=C(O)CN1C(NC(CC1)=O)=O

Description

This acetic acid derivative features a 1,3-diazinane core with two carbonyl groups at the 2- and 4-positions, delivering a rigid, electron-deficient heterocyclic scaffold. The pendant carboxylate group enables facile conjugation and solubility in aqueous systems, supporting its use in bioconjugation and peptide synthesis workflows.

Application

2-(2,4-Dioxo-1,3-diazinan-1-yl)acetic acid serves as a versatile building block for heterocyclic synthesis, particularly in the construction of substituted diazepane and diazanone scaffolds. Its bifunctional nature—combining a carboxylic acid with a cyclic imide moiety—enables efficient coupling reactions and facilitates incorporation into bioactive molecules. The compound exhibits good bench stability and is compatible with standard peptide coupling protocols, supporting scalable synthesis workflows in medicinal chemistry and process 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-P501

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Computational Chemistry Data

  • TPSA   86.71
  • LogP   -0.9871
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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