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CS-W001157 4
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1-(tert-Butyl) 2-methyl 4-bromo-1H-pyrrole-1,2-dicarboxylate

  • CAS No. 156237-78-4

  • Cat. No. CS-0132089
  • Purity≥98%
  • MDL No.MFCD09751125

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

1-(tert-Butyl) 2-methyl 4-bromo-1H-pyrrole-1,2-dicarboxylate|CS-0132089

Structure of 156237-78-4

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General Information

  • CAS No. 156237-78-4
  • Cat. No. CS-0132089
  • Purity ≥98%
  • MDL No. MFCD09751125
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄BrNO₄
  • Molecular Weight 304.14
  • Synonym(s) 1-tert-Butyl 2-methyl 4-bromo-1H-pyrrole-1,2-dicarboxylate
  • SMILES O=C(N1C(C(OC)=O)=CC(Br)=C1)OC(C)(C)C

Description

1-(tert-Butyl) 2-methyl 4-bromo-1H-pyrrole-1,2-dicarboxylate features a sterically shielded tert-butyl group and a brominated pyrrole core, enabling selective cross-coupling reactions. The electron-deficient pyrrole ring integrates readily into complex heterocyclic architectures under standard conditions. This bench-stable reagent streamlines access to functionalized pyrrole scaffolds in synthetic methodology.

Application

1-(tert-Butyl) 2-methyl 4-bromo-1H-pyrrole-1,2-dicarboxylate serves as a versatile pyrrolic building block for medicinal chemistry and heterocyclic synthesis. The bromo group enables palladium-catalyzed cross-coupling reactions, while the tert-butyl and methyl substituents provide steric and electronic tuning. Bench-stable and compatible with standard functional group manipulations, it facilitates efficient access to substituted pyrroles in multistep syntheses.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   2.8204
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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