Cas no 1192-79-6 (5-Methyl-1H-pyrrole-2-carbaldehyde)

5-Methyl-1H-pyrrole-2-carbaldehyde is a versatile heterocyclic aldehyde used as a key intermediate in organic synthesis and pharmaceutical research. Its pyrrole core and aldehyde functionality enable diverse reactivity, facilitating the construction of complex molecular frameworks. The compound is valued for its stability and compatibility with various reaction conditions, making it suitable for fine chemical applications.
5-Methyl-1H-pyrrole-2-carbaldehyde structure
1192-79-6 structure
Product Name:5-Methyl-1H-pyrrole-2-carbaldehyde
CAS No:1192-79-6
MF:C6H7NO
MW:109.125881433487
MDL:MFCD08236773
CID:140935
PubChem ID:14508
Update Time:2025-06-19

5-Methyl-1H-pyrrole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-1H-pyrrole-2-carbaldehyde
    • 5-Methylpyrrole-2-carbaldehyde
    • 1H-Pyrrole-2-carboxaldehyde,5-methyl-
    • 5-methyl-1H-Pyrrole-2-carboxaldehyde
    • 1H-Pyrrole-2-carboxaldehyde,5-methyl
    • 5-methyl-1H-pyrrole-2-carbaldehyde(SALTDATA: FREE)
    • 5-Methyl-2-formylpyrrole
    • 5-methyl-2-pyrrolecarbaldehyde
    • 5-Methylpyrrole-2-carboxaldehyde
    • UNII-SP16VW48RI
    • 1H-Pyrrole-2-carboxaldehyde, 5-methyl-
    • 2-formyl-5-methylpyrrole
    • SP16VW48RI
    • LFWLUDLUCDRDAF-UHFFFAOYSA-N
    • NSC81349
    • 5-Methyl-2-pyrrolaldehyde
    • SP712
    • Pyrrole-2-carboxaldehyde, 5-methyl
    • STL163414
    • 3298AA
    • BBL011859
    • NSC-81349
    • SCHEMBL2818048
    • MFCD08236773
    • SY016074
    • 5-methyl-1H-pyrrole-2-carbaldehyde, AldrichCPR
    • CS-0038064
    • CCG-40438
    • 1192-79-6
    • AM803022
    • EN300-120127
    • Q27289321
    • AKOS000111984
    • A892606
    • DS-17222
    • FT-0763304
    • InChI=1/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H
    • NSC 81349
    • AB43978
    • 5-Methyl-1H-pyrrole-2-carbaldehyde #
    • Z1198176668
    • DTXSID50152341
    • C6H7NO
    • DB-061547
    • MDL: MFCD08236773
    • Inchi: 1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3
    • InChI Key: LFWLUDLUCDRDAF-UHFFFAOYSA-N
    • SMILES: O=CC1=CC=C(C)N1

Computed Properties

  • Exact Mass: 109.05300
  • Monoisotopic Mass: 109.052764
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 92.5
  • 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
  • Topological Polar Surface Area: 32.9
  • Surface Charge: 0
  • Tautomer Count: 8
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.14
  • Boiling Point: 226.1℃/760mmHg
  • Flash Point: 95.8℃
  • Refractive Index: 1.589
  • PSA: 32.86000
  • LogP: 1.13560

5-Methyl-1H-pyrrole-2-carbaldehyde Security Information

  • Hazard Category Code: 36
  • Safety Instruction: 26

5-Methyl-1H-pyrrole-2-carbaldehyde Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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5-Methyl-1H-pyrrole-2-carbaldehyde Production Method

5-Methyl-1H-pyrrole-2-carbaldehyde Suppliers

Amadis Chemical Company Limited
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(CAS:1192-79-6)5-Methyl-1H-pyrrole-2-carbaldehyde
Order Number:A892606
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:41
Price ($):569.0

Additional information on 5-Methyl-1H-pyrrole-2-carbaldehyde

Introduction to 5-Methyl-1H-pyrrole-2-carbaldehyde (CAS No. 1192-79-6)

5-Methyl-1H-pyrrole-2-carbaldehyde, with the chemical formula C?H?NO, is a heterocyclic aldehyde that has garnered significant attention in the field of pharmaceutical chemistry and organic synthesis. This compound belongs to the pyrrole family, a class of nitrogen-containing heterocycles that are widely recognized for their diverse biological activities and structural versatility. The presence of both a methyl group and an aldehyde functionality makes it a valuable intermediate in the synthesis of more complex molecules, particularly in the development of novel therapeutic agents.

The CAS No. 1192-79-6 uniquely identifies this compound in scientific literature and industrial applications, ensuring precise referencing and consistency across different research groups and manufacturers. As a key building block, 5-Methyl-1H-pyrrole-2-carbaldehyde plays a crucial role in the construction of pharmacophores, which are specific arrangements of atoms responsible for a molecule's biological activity. Its structural features allow for easy functionalization, enabling chemists to tailor its properties for various applications.

In recent years, there has been growing interest in the exploration of pyrrole derivatives due to their potential as bioactive compounds. The aldehyde group in 5-Methyl-1H-pyrrole-2-carbaldehyde serves as a versatile handle for further chemical modifications, such as condensation reactions with amines to form Schiff bases or participation in Michael additions. These reactions are fundamental in the synthesis of more intricate structures, including those found in natural products and drug candidates.

One of the most compelling aspects of 5-Methyl-1H-pyrrole-2-carbaldehyde is its utility in medicinal chemistry. Researchers have leveraged its scaffold to develop molecules with antimicrobial, anti-inflammatory, and anticancer properties. For instance, studies have demonstrated its role as a precursor in the synthesis of pyrrole-based inhibitors that target specific enzymes involved in disease pathways. The flexibility offered by its structure allows for the creation of analogs with enhanced potency and selectivity.

The synthesis of 5-Methyl-1H-pyrrole-2-carbaldehyde typically involves multi-step organic reactions, often starting from readily available pyrrole derivatives. Advanced synthetic methodologies, such as catalytic hydrogenation and oxidation processes, have been optimized to improve yield and purity. These advancements reflect the ongoing efforts to streamline the production of valuable intermediates like this one, making them more accessible for industrial-scale applications.

Recent breakthroughs in computational chemistry have further enhanced the understanding of 5-Methyl-1H-pyrrole-2-carbaldehyde's reactivity and potential applications. Molecular modeling techniques allow researchers to predict how this compound might interact with biological targets, providing insights into its mechanism of action. Such simulations are increasingly integral to drug discovery pipelines, reducing the reliance on empirical trial-and-error approaches.

In addition to its pharmaceutical relevance, 5-Methyl-1H-pyrrole-2-carbaldehyde has found utility in materials science. Its ability to form stable complexes with metals makes it a candidate for use in coordination chemistry and catalysis. These complexes can exhibit unique electronic properties, opening doors for applications in luminescent materials and sensors.

The growing body of research on 5-Methyl-1H-pyrrole-2-carbaldehyde underscores its importance as a versatile intermediate. As synthetic methodologies continue to evolve, new possibilities for its application will undoubtedly emerge. Collaborative efforts between academia and industry are essential to fully exploit its potential in addressing complex challenges in medicine and materials science.

Looking ahead, the development of innovative synthetic routes and computational tools will be critical in maximizing the utility of 5-Methyl-1H-pyrrole-2-carbaldehyde. By integrating experimental data with theoretical predictions, researchers can accelerate the discovery process and bring novel compounds to fruition more efficiently. This compound exemplifies how fundamental building blocks can serve as springboards for scientific progress across multiple disciplines.

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Amadis Chemical Company Limited
(CAS:1192-79-6)5-Methyl-1H-pyrrole-2-carbaldehyde
A892606
Purity:99%
Quantity:25g
Price ($):569.0
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