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

Name: tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
Brand: ChemScene
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CAS No. 1105187-42-5
Cat. No. CS-W019108
Purity≥98%
MDL No.MFCD08447404

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate|CS-W019108

Structure of 1105187-42-5

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Description

tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate features a bicyclic purine-like core with a pendant amino group and a bench-stable tert-butyl ester, enabling direct incorporation into nucleoside analogs. This building block facilitates efficient synthesis of bioactive heterocycles under standard conditions.

Application

tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate serves as a versatile building block for purine-derived scaffolds, enabling efficient access to biologically relevant heterocycles. The protected amine and carboxylate functionalities offer orthogonal reactivity, facilitating sequential functionalization in medicinal chemistry campaigns. Bench-stable and readily purified by standard chromatography, it functions effectively in coupling, alkylation, and cyclization reactions under mild conditions.

General Information

CAS No. 1105187-42-5
Cat. No. CS-W019108
Purity ≥98%
MDL No. MFCD08447404
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₆N₄O₂
Molecular Weight 236.27
Synonym(s) tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)
SMILES O=C(N1CC2=NC(N)=NC=C2C1)OC(C)(C)C

Computational Chemistry Data

TPSA 81.34
LogP 1.3095
H_Acceptors 5
H_Donors 1
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-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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Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

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

CAS No. 1105187-42-5

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