tert-butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

Name: tert-butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
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CAS No. 903129-71-5
Cat. No. CS-W000578
Purity≥95%
MDL No.MFCD08273919

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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tert-butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate|CS-W000578

Structure of 903129-71-5

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General Information

CAS No. 903129-71-5
Cat. No. CS-W000578
Purity ≥95%
MDL No. MFCD08273919
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₃Cl₂N₃O₂
Molecular Weight 290.15
Synonym(s) tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyriMidine-6(7H)-carbox
SMILES CC(C)(C)OC(=O)N1Cc2nc(Cl)nc(Cl)c2C1

Description

tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate is a bench-stable, moisture-tolerant heterocyclic building block featuring two chlorine substituents at electron-deficient positions. This derivative enables direct incorporation into purine-based scaffolds via palladium-catalyzed cross-coupling, streamlining access to functionalized pyrrolopyrimidines for medicinal chemistry applications.

Application

tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate serves as a versatile building block for purine-derived heterocycles, enabling efficient functionalization at the C2 and C4 positions. Its dichloro substitution pattern facilitates palladium-catalyzed cross-coupling reactions, while the tert-butyl ester group offers stability and ease of removal under mild acidic conditions. The scaffold exhibits excellent functional group tolerance and is well-suited for iterative synthesis of kinase inhibitor candidates and nucleoside analogs in medicinal chemistry workflows.

Safety Information

Download SDS

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 3.0341
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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tert-butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

CAS No. 903129-71-5

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