tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

Name: tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Brand: ChemScene
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CAS No. 1056934-87-2
Cat. No. CS-W023009
Purity≥98%
MDL No.MFCD08273922

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate|CS-W023009

Structure of 1056934-87-2

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General Information

CAS No. 1056934-87-2
Cat. No. CS-W023009
Purity ≥98%
MDL No. MFCD08273922
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₆ClN₃O₂
Molecular Weight 269.73
Synonym(s) tert-Butyl 4-chloro-7,8-dihydropyrido-[4,3-d]pyrimidine-6(5H)-carboxylate
SMILES O=C(N1CCC2=NC=NC(Cl)=C2C1)OC(C)(C)C

Description

tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate is a bench-stable heterocyclic building block featuring a chlorine-substituted pyridopyrimidine core. This electron-deficient scaffold integrates readily into medicinal chemistry campaigns, enabling direct access to bioactive scaffolds through late-stage functionalization. The tert-butyl ester group facilitates purification and stability during synthesis.

Application

tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate serves as a versatile scaffold for constructing biologically relevant heterocycles, enabling efficient functionalization at the C4 position via palladium-catalyzed cross-coupling. The tert-butyl ester group provides excellent bench stability and facilitates straightforward deprotection under mild acidic conditions. Its compatibility with diverse nucleophiles and tolerance to common functional groups make it a practical building block in medicinal chemistry and process development workflows.

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

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Computational Chemistry Data

TPSA 55.32
LogP 2.4232
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

CAS No. 1056934-87-2

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