tert-Butyl 2-chloro-7,8-dihydropyrido[3,2-d]pyrimidine-5(6H)-carboxylate

Name: tert-Butyl 2-chloro-7,8-dihydropyrido[3,2-d]pyrimidine-5(6H)-carboxylate
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CAS No. 1421311-91-2
Cat. No. CS-0136430
Purity≥98%
MDL No.None

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tert-Butyl 2-chloro-7,8-dihydropyrido[3,2-d]pyrimidine-5(6H)-carboxylate|CS-0136430

Structure of 1421311-91-2

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General Information

CAS No. 1421311-91-2
Cat. No. CS-0136430
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₆ClN₃O₂
Molecular Weight 269.73
Synonym(s) Pyrido[3,2-d]pyrimidine-5(6H)-carboxylic acid, 2-chloro-7,8-dihydro-, 1,1-dimethylethyl ester
SMILES O=C(N1CCCC2=NC(Cl)=NC=C21)OC(C)(C)C

Description

tert-Butyl 2-chloro-7,8-dihydropyrido[3,2-d]pyrimidine-5(6H)-carboxylate is a bench-stable heterocyclic building block featuring a chlorine-substituted pyridopyrimidine core. This compound integrates readily into medicinal chemistry campaigns, enabling efficient access to bioactive scaffolds through nucleophilic substitution and subsequent functionalization. The tert-butyl ester group facilitates purification and downstream manipulation under standard conditions.

Application

tert-Butyl 2-chloro-7,8-dihydropyrido[3,2-d]pyrimidine-5(6H)-carboxylate serves as a versatile scaffold for the synthesis of biologically active heterocycles. The chloro group enables palladium-catalyzed cross-coupling reactions, while the dihydropyrido[3,2-d]pyrimidine core provides a rigid, electron-deficient platform. Its tert-butyl ester functionality offers stability and facile deprotection under mild acidic conditions, facilitating downstream functionalization 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-P280-P302+P352

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Computational Chemistry Data

TPSA 55.32
LogP 2.8177
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 2-chloro-7,8-dihydropyrido[3,2-d]pyrimidine-5(6H)-carboxylate

CAS No. 1421311-91-2

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