Cas no 1097834-88-2 (1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate)

1-tert-Butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate is a brominated pyrrole derivative featuring dual carboxylate protection, which enhances stability and selectivity in synthetic applications. The tert-butyl and methyl ester groups provide orthogonal reactivity, facilitating controlled deprotection and functionalization. The 3-bromo substituent offers a versatile handle for further cross-coupling or nucleophilic substitution reactions, making it a valuable intermediate in heterocyclic chemistry. Its well-defined structure ensures reproducibility in complex syntheses, particularly in pharmaceutical and agrochemical research. The compound’s compatibility with a range of reaction conditions underscores its utility in constructing advanced pyrrole-based frameworks.
1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate structure
1097834-88-2 structure
Product Name:1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate
CAS No:1097834-88-2
MF:C11H14BrNO4
MW:304.137162685394
MDL:MFCD24469434
CID:3164312
PubChem ID:44189803
Update Time:2025-10-21

1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
    • 1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate
    • AS-54135
    • 1-Boc-2-methyl 3-bromo-1H-pyrrole-2-carboxylate
    • 1097834-88-2
    • AKOS037644636
    • SCHEMBL16007324
    • CS-0052388
    • PB39583
    • P17545
    • Methyl 3-Bromo-1-Boc-1H-pyrrole-2-carboxylate
    • 3-Bromo-pyrrole-1,2-dicarboxylicacid1-tert-butylester2-methylester
    • MFCD24469434
    • 1-tert-butyl 2-methyl 3-bromopyrrole-1,2-dicarboxylate
    • LLWNJLSKYPDNOF-UHFFFAOYSA-N
    • 1-t-Butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate
    • SY321235
    • 1-O-tert-butyl 2-O-methyl 3-bromopyrrole-1,2-dicarboxylate
    • MDL： MFCD24469434
    • Inchi： 1S/C11H14BrNO4/c1-11(2,3)17-10(15)13-6-5-7(12)8(13)9(14)16-4/h5-6H,1-4H3
    • InChI Key： LLWNJLSKYPDNOF-UHFFFAOYSA-N
    • SMILES： BrC1C=CN(C=1C(=O)OC)C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 303.01062g/mol
  • Monoisotopic Mass: 303.01062g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 313
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 57.5?2

1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate Pricemore >>

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1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate Related Literature

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Additional information on 1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate

Comprehensive Overview of 1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate (CAS No. 1097834-88-2)

The compound 1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate (CAS No. 1097834-88-2) is a highly specialized pyrrole derivative with significant applications in organic synthesis and pharmaceutical research. Its unique molecular structure, featuring a brominated pyrrole core and dual carboxylate esters, makes it a valuable intermediate for constructing complex heterocyclic systems. Researchers and industry professionals frequently search for this compound due to its role in drug discovery, agrochemical development, and material science.

In recent years, the demand for functionalized pyrroles like 1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate has surged, driven by advancements in catalysis and green chemistry. A common query among chemists is how to optimize its synthesis to reduce byproducts—a topic aligning with the global push for sustainable chemical processes. The compound’s bromo substituent offers versatile reactivity, enabling cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig, which are pivotal in modern medicinal chemistry.

Another trending discussion revolves around the compound’s potential in photovoltaic materials and OLEDs. Its electron-rich pyrrole ring and ester groups contribute to tunable electronic properties, making it a candidate for organic semiconductors. This aligns with searches for "pyrrole-based electronic materials" or "small molecule donors for solar cells," highlighting its interdisciplinary relevance.

From a synthetic perspective, CAS No. 1097834-88-2 is often explored for its regioselective functionalization. Questions like "How to selectively modify the 3-position of pyrroles?" or "Best protecting groups for pyrrole carboxylates" reflect practical challenges addressed by this compound. Its tert-butyl ester moiety enhances solubility in nonpolar solvents, simplifying purification—a feature praised in forums discussing high-yield synthetic routes.

Quality control is another critical focus. Analytical techniques such as HPLC, NMR, and mass spectrometry are essential for verifying the purity of 1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate, especially given its use in high-throughput screening. Searches for "HPLC methods for pyrrole derivatives" underscore this need for precision in research settings.

In summary, 1-tert-butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate (CAS No. 1097834-88-2) bridges multiple scientific frontiers. Its adaptability in catalysis, materials science, and pharmaceutical intermediates ensures its prominence in both academic and industrial contexts. By addressing frequently searched topics like sustainable synthesis and electronic applications, this overview aims to enhance visibility while providing actionable insights for professionals.

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