tert-Butyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

CAS No. 635698-56-5
Cat. No. CS-D0280
Purity≥97%
MDL No.MFCD08273933

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tert-Butyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate|CS-D0280

Structure of 635698-56-5

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Description

tert-Butyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate is a bench-stable, moisture-tolerant heterocyclic building block featuring two chlorine substituents at electron-deficient positions. This dihydro-pyrimidine scaffold integrates readily into medicinal chemistry campaigns, enabling efficient access to kinase-inhibitor scaffolds through straightforward deprotection and functionalization.

Application

tert-Butyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate serves as a versatile building block for the synthesis of pyrido[4,3-d]pyrimidine scaffolds, enabling efficient functionalization at C2 and C4 positions. Its dichloro substitution pattern facilitates sequential cross-coupling reactions and nucleophilic displacement, while the tert-butyl ester group provides stability and ease of removal under mild acidic conditions. This compound demonstrates excellent bench stability and compatibility with diverse reaction conditions, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

General Information

CAS No. 635698-56-5
Cat. No. CS-D0280
Purity ≥97%
MDL No. MFCD08273933
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₅Cl₂N₃O₂
Molecular Weight 304.17
Synonym(s) 2-Methyl-2-propanyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
SMILES O=C(N1CCC2=NC(Cl)=NC(Cl)=C2C1)OC(C)(C)C

Computational Chemistry Data

TPSA 55.32
LogP 3.0766
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-H332-H335
Precautionary Statements : P261-P280-P338-P351

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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tert-Butyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

CAS No. 635698-56-5

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