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

Name: 1-(tert-Butyl) 2-methyl 4-bromo-1H-pyrrole-1,2-dicarboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 156237-78-4
Cat. No. CS-0132089
Purity≥98%
MDL No.MFCD09751125

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

Structure of 156237-78-4

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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.

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

Computational Chemistry Data

TPSA 57.53
LogP 2.8204
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 1

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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

CAS No. 156237-78-4

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