2,4,8-Trichloropyrido[3,4-d]pyrimidine

Name: 2,4,8-Trichloropyrido[3,4-d]pyrimidine
Brand: ChemScene
Availability: InStock
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CAS No. 1470249-17-2
Cat. No. CS-0147039
Molecule weight234.47
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2,4,8-Trichloropyrido[3,4-d]pyrimidine|CS-0147039

Structure of 1470249-17-2

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General Information

CAS No. 1470249-17-2
Cat. No. CS-0147039
Purity ≥97%
MDL No. None
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂Cl₃N₃
Molecular Weight 234.47
Synonym(s) None
SMILES ClC1=NC=CC2=C(Cl)N=C(Cl)N=C21

Description

2,4,8-Trichloropyrido[3,4-d]pyrimidine serves as a key heterocyclic scaffold in medicinal chemistry, featuring three chlorine substituents that enable efficient functionalization via cross-coupling reactions. This electron-deficient core integrates readily into kinase inhibitors and other bioactive molecules, offering enhanced reactivity and metabolic stability in drug discovery workflows.

Application

2,4,8-Trichloropyrido[3,4-d]pyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient construction of nitrogen-rich heterocyclic scaffolds. Its three chlorine substituents provide orthogonal reactivity for palladium-catalyzed cross-coupling and nucleophilic substitution reactions, facilitating rapid diversification at multiple positions. The molecule exhibits excellent bench stability and compatibility with standard synthetic workflows, making it ideal for the development of kinase inhibitors and other bioactive compounds.

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-H320-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 38.67
LogP 2.985
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2,4,8-Trichloropyrido[3,4-d]pyrimidine

CAS No. 1470249-17-2

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