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CS-W001157 4
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tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

  • CAS No. 1105187-42-5

  • Cat. No. CS-W019108
  • Molecule weight236.27
  • Purity≥98%
  • MDL No.MFCD08447404

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate|CS-W019108

Structure of 1105187-42-5

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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

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.

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

Quality Control

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Computational Chemistry Data

  • TPSA   81.34
  • LogP   1.3095
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   0

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