Cas no 128843-61-8 (4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde)

4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde is a fluorinated pyrrole derivative with a benzoyl substituent, serving as a versatile intermediate in organic synthesis and pharmaceutical research. Its key structural features include a reactive aldehyde group and a fluorinated aromatic ring, enhancing its utility in cross-coupling reactions and as a precursor for heterocyclic compounds. The presence of the fluorine atom improves metabolic stability and binding affinity in drug development applications. This compound is particularly valuable in the synthesis of bioactive molecules, offering precise functionalization opportunities. High purity and well-defined reactivity make it suitable for use in medicinal chemistry and material science research. Proper handling under controlled conditions is recommended due to its reactive aldehyde functionality.
4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde structure
128843-61-8 structure
Product Name:4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
CAS No:128843-61-8
MF:C13H10FNO2
MW:231.222406864166
MDL:MFCD00172167
CID:233446
PubChem ID:2774421
Update Time:2025-06-08

4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
    • 1H-Pyrrole-2-carboxaldehyde,4-(4-fluorobenzoyl)-1-methyl-
    • 4-(4-FLUOROBENZOYL)-1-METHYL-1H-PYRROLE-2-CARBOXALDEHYDE
    • 4-(4-fluorobenzoyl)-1-methylpyrrole-2-carbaldehyde
    • 4-(4-Fluorobenzoyl)-2-formyl-1-methyl-1H-pyrrole, 1-Fluoro-4-[(5-formyl-1-methyl-1H-pyrrol-3-yl)carbonyl]benzene
    • 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carboxaldehyde97%
    • 4-[(4-fluorophenyl)-oxomethyl]-1-methyl-2-pyrrolecarboxaldehyde
    • 128843-61-8
    • 4-(4-fluorophenyl)carbonyl-1-methyl-pyrrole-2-carbaldehyde
    • FT-0643098
    • 1H-Pyrrole-2-carboxaldehyde, 4-(4-fluorobenzoyl)-1-methyl-
    • MLS001166472
    • J-513506
    • DTXSID20379028
    • MFCD00172167
    • 4-(4-fluorobenzoyl)-1-methylpyrrole-2-carboxaldehyde
    • CS-0334563
    • CHEMBL1582444
    • 10H-017
    • SMR000549509
    • A805867
    • HMS2863M08
    • J-005632
    • AKOS000345085
    • SCHEMBL2073321
    • MDL: MFCD00172167
    • Inchi: 1S/C13H10FNO2/c1-15-7-10(6-12(15)8-16)13(17)9-2-4-11(14)5-3-9/h2-8H,1H3
    • InChI Key: GNMRXQTZWYXHMO-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C(C1C=C(C=O)N(C)C=1)=O

Computed Properties

  • Exact Mass: 231.07000
  • Monoisotopic Mass: 231.07
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 300
  • 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: 1.9
  • Topological Polar Surface Area: 39.1?2

Experimental Properties

  • Density: 1.2
  • Melting Point: 120-122°C
  • Boiling Point: 395.4 °C at 760 mmHg
  • Flash Point: 192.9 °C
  • Refractive Index: 1.565
  • PSA: 39.07000
  • LogP: 2.20770

4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde Security Information

  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26
  • Hazardous Material Identification: Xi
  • Safety Term:S26-36/37/39
  • HazardClass:IRRITANT
  • Risk Phrases:R36/37/38

4-(4-Fluorobenzoyl)-1-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%

4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde Pricemore >>

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Additional information on 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde

Introduction to 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde (CAS No. 128843-61-8)

4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde (CAS No. 128843-61-8) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has shown promising potential in various applications, particularly in the development of novel therapeutic agents.

The molecular structure of 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde consists of a pyrrole ring substituted with a 4-fluorobenzoyl group and a methyl group. The presence of the fluorine atom in the benzoyl moiety imparts unique electronic and steric properties to the molecule, which can influence its biological activity and reactivity. These properties make it an attractive candidate for drug design and synthesis.

Recent studies have highlighted the importance of fluorinated compounds in medicinal chemistry due to their ability to enhance the pharmacological properties of drugs. For instance, the introduction of fluorine atoms can improve the metabolic stability, lipophilicity, and binding affinity of molecules, thereby enhancing their therapeutic efficacy. In this context, 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde has been investigated for its potential as a lead compound in the development of new drugs targeting various diseases.

One notable area of research involving 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde is its application in cancer therapy. Studies have shown that this compound exhibits potent antiproliferative activity against several cancer cell lines. The mechanism of action is believed to involve the inhibition of key enzymes involved in cell proliferation and survival pathways. Additionally, the compound's ability to induce apoptosis in cancer cells has been well-documented, making it a promising candidate for further investigation.

Beyond cancer therapy, 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde has also shown potential in other therapeutic areas. For example, it has been evaluated for its anti-inflammatory properties and has demonstrated significant activity in reducing inflammation in preclinical models. This makes it a potential candidate for the treatment of inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.

The synthesis of 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde involves a series of well-established chemical reactions. The key steps typically include the formation of the pyrrole ring, followed by substitution with the 4-fluorobenzoyl group and methylation. Recent advancements in synthetic methodologies have led to more efficient and scalable routes for the production of this compound, making it more accessible for large-scale research and development.

In addition to its therapeutic potential, 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde has also been studied for its use as a building block in organic synthesis. Its unique structural features make it a valuable intermediate for the preparation of more complex molecules with diverse biological activities. This versatility has led to its widespread use in academic and industrial laboratories.

The safety profile of 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde is an important consideration in its development as a therapeutic agent. Preclinical studies have shown that it exhibits low toxicity at effective concentrations, which is a favorable attribute for drug candidates. However, further research is needed to fully understand its safety profile and potential side effects.

In conclusion, 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde (CAS No. 128843-61-8) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique structural features, coupled with its biological activities, make it an attractive candidate for further investigation and development as a novel therapeutic agent. Ongoing research continues to uncover new insights into its properties and potential uses, solidifying its importance in the field.

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