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CS-W001157 4
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tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate

  • CAS No. 161282-57-1

  • Cat. No. CS-0054074
  • Purity≥95%
  • MDL No.MFCD03086220

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

tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate|CS-0054074

Structure of 161282-57-1

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General Information

  • CAS No. 161282-57-1
  • Cat. No. CS-0054074
  • Purity ≥95%
  • MDL No. MFCD03086220
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₃
  • Molecular Weight 195.22
  • Synonym(s) N-(1,1-Dimethylethoxycarbonyl)pyrrole-2-carboxaldehyde
  • SMILES O=C(N1C(C=O)=CC=C1)OC(C)(C)C

Description

tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate features a pyrrole ring bearing both a formyl group at the 2-position and a tert-butyl ester at the 1-position, offering a bifunctional handle for synthetic diversification. The electron-rich pyrrole core facilitates electrophilic functionalization, while the formyl moiety enables conjugation via imine formation or reductive amination. This compound serves as a stable, bench-ready precursor in the assembly of complex heterocycles and bioactive molecules.

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   48.3
  • LogP   2.0838
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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