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

Name: 4-Chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 2377645-90-2
Cat. No. CS-0169349
Purity≥98%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoic acid|CS-0169349

Structure of 2377645-90-2

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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.

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

Computational Chemistry Data

TPSA 86.71
LogP 1.4845
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 2

Safety Information

Download SDS

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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Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Life Science PROTAC Ligands for E3 Ligase

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Proteolysis Targeting Chimera Research Reagents

Biochemistry Pharmaceutical Development and Drug Discovery Research Proteolysis Targeting Chimera Research Reagents

Key Words

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

CAS No. 2377645-90-2

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