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

CAS No. 1053656-57-7
Cat. No. CS-W018892
Purity≥95%
MDL No.MFCD11109465

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tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate|CS-W018892

Structure of 1053656-57-7

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Description

tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate is a bench-stable heterocyclic building block featuring a chlorine-substituted dihydropyridopyrimidine core. This compound integrates readily into synthetic sequences requiring nitrogen-rich scaffolds with defined stereochemical control. The tert-butyl ester group enables selective deprotection under mild acidic conditions, facilitating downstream functionalization in medicinal chemistry and materials development workflows.

Application

tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate serves as a versatile scaffold for constructing biologically relevant heterocycles, enabling efficient functionalization at the C4 position via palladium-catalyzed cross-coupling. Its bench-stable tert-butyl ester and latent pyridine core facilitate downstream transformations, including cyclizations and nucleophilic substitutions, making it well-suited for medicinal chemistry campaigns targeting kinase inhibitors and other nitrogen-containing pharmaceuticals.

General Information

CAS No. 1053656-57-7
Cat. No. CS-W018892
Purity ≥95%
MDL No. MFCD11109465
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-5,6-dihydropyrido-[3,4-d]pyrimidine-7(8H)-carboxylate
SMILES ClC1=NC=NC2=C1CCN(C2)C(=O)OC(C)(C)C

Computational Chemistry Data

TPSA 55.32
LogP 2.4232
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

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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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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

CAS No. 1053656-57-7

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