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

Name: tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
Brand: ChemScene
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CAS No. 1053657-15-0
Cat. No. CS-W023008
Purity≥98%
MDL No.MFCD08273924

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tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate|CS-W023008

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General Information

CAS No. 1053657-15-0
Cat. No. CS-W023008
Purity ≥98%
MDL No. MFCD08273924
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₄ClN₃O₂
Molecular Weight 255.70
Synonym(s) tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)
SMILES CC(C)(C)OC(=O)N1CC2=C(C1)C(Cl)=NC=N2

Description

tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate features a sterically hindered tert-butyl ester paired with a chlorine-substituted pyrrolopyrimidine core. This bench-stable scaffold integrates readily into heterocyclic synthesis, enabling efficient access to bioactive purine analogs and kinase inhibitor precursors under standard conditions.

Application

tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate serves as a versatile building block for purine and pyrrolopyrimidine-based scaffolds. The chloro group enables direct nucleophilic substitution in late-stage functionalization, while the tert-butyl ester offers bench stability and facile deprotection under mild acidic conditions. This compound facilitates efficient access to biologically relevant heterocycles via Pd-catalyzed coupling or amine displacement reactions, making it valuable in medicinal chemistry and API synthesis 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-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 2.3807
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

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

CAS No. 1053657-15-0

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