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

Name: tert-Butyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 916420-27-4
Cat. No. CS-D0028
Purity≥95%
MDL No.MFCD09025732

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tert-Butyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate|CS-D0028

Structure of 916420-27-4

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Description

tert-Butyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate features a sterically shielded tert-butyl ester and two chloro substituents at electron-deficient positions, enabling selective functionalization in heterocyclic synthesis. This bench-stable intermediate facilitates access to advanced pyridopyrimidine scaffolds under standard conditions.

Application

tert-Butyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate serves as a versatile building block for the synthesis of substituted pyrido[3,4-d]pyrimidine scaffolds. The dichloro functionality enables sequential nucleophilic substitution reactions, while the tert-butyl ester group offers stability and convenient deprotection under mild acidic conditions. This compound facilitates access to biologically relevant heterocycles through well-established coupling protocols and is compatible with a range of functional groups commonly encountered in medicinal chemistry workflows.

General Information

CAS No. 916420-27-4
Cat. No. CS-D0028
Purity ≥95%
MDL No. MFCD09025732
Storage -20°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₅Cl₂N₃O₂
Molecular Weight None
Synonym(s) tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
SMILES ClC1=NC2=C(C(Cl)=N1)CCN(C(OC(C)(C)C)=O)C2

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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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

Drug Discovery Cancer KRAS

Key Words

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

CAS No. 916420-27-4

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