Cas no 803712-69-8 (5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde)

5-Bromo-3-methoxy-1H-pyrrole-2-carboxaldehyde is a versatile heterocyclic building block used in organic synthesis and pharmaceutical research. Its key advantages include a reactive aldehyde group and bromine substituent, enabling selective functionalization via cross-coupling, condensation, or nucleophilic substitution reactions. The methoxy group enhances stability while influencing electronic properties for tailored reactivity. This compound is particularly valuable in the synthesis of pyrrole-based scaffolds, agrochemicals, and bioactive molecules. Its well-defined structure and high purity make it suitable for precise applications in medicinal chemistry and material science. The product is typically handled under inert conditions due to its sensitivity to air and moisture.
5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde structure
803712-69-8 structure
Product Name:5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde
CAS No:803712-69-8
MF:C6H6BrNO2
MW:204.021340847015
CID:1118062
PubChem ID:11535780
Update Time:2025-06-09

5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde
    • 803712-69-8
    • Z1509171008
    • SCHEMBL231362
    • 5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
    • EN300-7663132
    • Inchi: 1S/C6H6BrNO2/c1-10-5-2-6(7)8-4(5)3-9/h2-3,8H,1H3
    • InChI Key: KZPPJJDZYATJFM-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=C(C=O)N1)OC

Computed Properties

  • Exact Mass: 202.95819g/mol
  • Monoisotopic Mass: 202.95819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 131
  • 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: 1.5
  • Topological Polar Surface Area: 42.1?2

5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-7663132-0.05g
5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
803712-69-8 95.0%
0.05g
$252.0 2025-03-21
Enamine
EN300-7663132-0.1g
5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
803712-69-8 95.0%
0.1g
$376.0 2025-03-21
Enamine
EN300-7663132-0.25g
5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
803712-69-8 95.0%
0.25g
$538.0 2025-03-21
Enamine
EN300-7663132-0.5g
5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
803712-69-8 95.0%
0.5g
$847.0 2025-03-21
Enamine
EN300-7663132-1.0g
5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
803712-69-8 95.0%
1.0g
$1086.0 2025-03-21
Enamine
EN300-7663132-2.5g
5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
803712-69-8 95.0%
2.5g
$2127.0 2025-03-21
Enamine
EN300-7663132-5.0g
5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
803712-69-8 95.0%
5.0g
$3147.0 2025-03-21
Enamine
EN300-7663132-10.0g
5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
803712-69-8 95.0%
10.0g
$4667.0 2025-03-21
1PlusChem
1P028V8M-50mg
5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
803712-69-8 95%
50mg
$363.00 2024-04-21
1PlusChem
1P028V8M-100mg
5-bromo-3-methoxy-1H-pyrrole-2-carbaldehyde
803712-69-8 95%
100mg
$527.00 2024-04-21

Additional information on 5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde

Comprehensive Overview of 5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde (CAS No. 803712-69-8)

5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde (CAS No. 803712-69-8) is a highly specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This brominated pyrrole derivative is characterized by its unique molecular structure, featuring a methoxy group and an aldehyde functionality, which make it a versatile intermediate in synthetic chemistry. Researchers are increasingly exploring its potential in drug discovery, particularly in the development of novel heterocyclic compounds with therapeutic applications.

The compound's CAS number 803712-69-8 serves as a unique identifier in chemical databases, ensuring precise tracking in regulatory and research contexts. Its pyrrole core is a common motif in bioactive molecules, contributing to its relevance in medicinal chemistry. Recent studies highlight its utility in constructing multi-functional scaffolds for targeting enzymes and receptors, aligning with the growing demand for small-molecule therapeutics. This aligns with current trends in precision medicine and structure-activity relationship (SAR) studies, where researchers seek to optimize molecular properties for enhanced efficacy.

In the context of green chemistry, 5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde has been investigated for its role in sustainable synthesis. The compound's bromo substituent offers a reactive site for cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are pivotal in constructing complex architectures. This resonates with the industry's shift toward atom-economical processes and catalytic transformations, addressing environmental concerns while maintaining synthetic efficiency.

From an analytical perspective, the compound's aldehyde group enables derivatization for spectroscopic characterization (e.g., NMR, HPLC-MS), a critical step in quality control for pharmaceutical intermediates. Its UV-active properties also facilitate detection in chromatographic methods, making it valuable in high-throughput screening workflows. These attributes cater to the rising demand for analytical validation in drug development pipelines, particularly in biopharmaceutical applications.

The agrochemical sector has also explored 5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde as a precursor for crop protection agents. Its structural features align with modern pesticide design strategies, emphasizing selectivity and biodegradability. This intersects with global discussions on food security and sustainable agriculture, where innovative chemistry plays a pivotal role in addressing challenges like pest resistance and environmental impact.

In material science, the compound's electron-rich pyrrole ring contributes to its potential in organic electronics, such as conductive polymers or OLED materials. This application taps into the booming interest in flexible electronics and energy-efficient displays, showcasing the interdisciplinary value of this chemical entity.

Regulatory compliance for CAS 803712-69-8 adheres to standard safety protocols for laboratory handling, with no restrictions under common chemical control frameworks. Its stability under ambient conditions and compatibility with inert atmosphere techniques further enhance its practicality in industrial settings. As the scientific community prioritizes reproducible synthesis and scalable methodologies, this compound's well-documented properties support its integration into automated flow chemistry systems.

Ongoing research continues to uncover new applications for 5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde, particularly in bioconjugation and probe development for diagnostic assays. Its compatibility with click chemistry reactions positions it as a tool for chemical biology studies, addressing unmet needs in target identification and mechanistic investigations. These developments reflect the compound's adaptability to cutting-edge scientific paradigms.

In summary, 5-bromo-3-methoxy-1H-Pyrrole-2-carboxaldehyde (CAS No. 803712-69-8) exemplifies the convergence of synthetic utility and multidisciplinary innovation. Its structural versatility meets contemporary demands across pharmaceuticals, agrochemicals, and materials science, while its analytical tractability supports rigorous R&D standardization. As scientific inquiry evolves, this compound remains a focal point for advancing molecular design strategies in alignment with global technological and environmental priorities.

Recommended suppliers
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD