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CS-W001157 4
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4-Chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoic acid

  • CAS No. 2377645-90-2

  • Cat. No. CS-0169349
  • Molecule weight268.65
  • Purity≥98%
  • MDL No.None

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

4-Chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoic acid|CS-0169349

Structure of 2377645-90-2

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General Information

  • CAS No. 2377645-90-2
  • Cat. No. CS-0169349
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉ClN₂O₄
  • Molecular Weight 268.65
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(Cl)C(=C1)N2C(=O)NC(=O)CC2

Description

4-Chloro-3-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)benzoic acid features a fused pyrimidone ring conjugated to an electron-deficient aryl chloride, enabling direct coupling in late-stage functionalization. The carboxylic acid moiety facilitates robust derivatization under standard amide-forming conditions. This scaffold integrates readily into bioactive heterocycles with enhanced metabolic stability and targeted solubility.

Application

4-Chloro-3-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)benzoic acid serves as a versatile building block for medicinal chemistry campaigns, enabling efficient construction of pyrimidine-fused heterocycles. Its ortho-chloro and carboxylic acid functionalities support sequential functionalization via palladium-catalyzed cross-coupling and amide formation. The molecule exhibits bench stability, facilitates straightforward purification, and functions effectively in standard peptide coupling and cyclization protocols.

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   86.71
  • LogP   1.4845
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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