Cas no 126624-55-3 (2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone)

2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone is a versatile organic compound featuring a reactive chloroacetyl group attached to a 1-methylpyrrole scaffold. This structure makes it a valuable intermediate in synthetic organic chemistry, particularly for the preparation of heterocyclic compounds and pharmaceuticals. Its chloroacetyl moiety enables nucleophilic substitution reactions, facilitating further functionalization, while the pyrrole ring contributes to its utility in medicinal chemistry and agrochemical research. The compound is typically used in controlled environments due to its reactivity, and its purity is critical for consistent performance in synthetic applications. Proper handling and storage are recommended to maintain stability.
2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone structure
126624-55-3 structure
Product Name:2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone
CAS No:126624-55-3
MF:C7H8ClNO
MW:157.597520828247
CID:168813
PubChem ID:2513402
Update Time:2025-05-20

2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone
    • 2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)-ethanone
    • 5-amino-3-methylisothiazole-4-carboxylic acid
    • Ethanone,2-chloro-1-(1-methyl-1H-pyrrol-3-yl)-
    • 1-Methyl-3-chloroacetylpyrrole
    • Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-3-yl)- (9CI)
    • 2-chloro-1-(1-methylpyrrol-3-yl)ethanone
    • DTXSID70368861
    • Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-3-yl)-
    • MFCD06358037
    • SCHEMBL4502421
    • SB62542
    • BB 0253612
    • J-516716
    • Z56347313
    • 2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one
    • A889395
    • AKOS000104335
    • EN300-10370
    • 126624-55-3
    • CS-0307987
    • G54580
    • MDL: MFCD06358037
    • Inchi: 1S/C7H8ClNO/c1-9-3-2-6(5-9)7(10)4-8/h2-3,5H,4H2,1H3
    • InChI Key: VEQMYTRZOPIVAE-UHFFFAOYSA-N
    • SMILES: ClCC(C1C=CN(C)C=1)=O

Computed Properties

  • Exact Mass: 157.02900
  • Monoisotopic Mass: 157.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 138
  • 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: 22A^2
  • XLogP3: 1

Experimental Properties

  • Density: 1.18
  • Boiling Point: 253.1°Cat760mmHg
  • Flash Point: 106.9°C
  • Refractive Index: 1.535
  • PSA: 22.00000
  • LogP: 1.44660

2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone 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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2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone Production Method

Additional information on 2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone

Comprehensive Overview of 2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone (CAS No. 126624-55-3)

2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone, with the CAS number 126624-55-3, is a specialized organic compound that has garnered significant attention in the field of chemical research and pharmaceutical development. This compound, characterized by its unique pyrrole ring structure and chloroethanone functional group, serves as a versatile intermediate in the synthesis of various bioactive molecules. Its molecular formula, C7H8ClNO, and distinct properties make it a valuable asset in modern synthetic chemistry.

The growing interest in 2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone is driven by its potential applications in drug discovery and material science. Researchers are particularly intrigued by its role in the development of heterocyclic compounds, which are pivotal in designing new pharmaceutical agents. The compound’s pyrrole moiety is a common feature in many natural products and drugs, making it a focal point for studies aimed at enhancing bioavailability and therapeutic efficacy.

In recent years, the demand for high-purity chemical intermediates like 2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone has surged, particularly in the context of green chemistry and sustainable synthesis. Environmental concerns and regulatory pressures have led to a shift toward eco-friendly production methods, and this compound is no exception. Innovations in catalytic processes and solvent-free reactions have been explored to minimize waste and improve yield, aligning with global sustainability goals.

Another area of interest is the compound’s potential in agrochemical research. The pyrrole derivatives are known for their pesticidal and herbicidal properties, and 2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone could play a role in developing next-generation crop protection solutions. With the increasing need for food security and sustainable agriculture, this application is particularly timely and relevant.

From a technical standpoint, the synthesis of 2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone involves carefully controlled reactions to ensure high regioselectivity and stereochemical purity. Advanced analytical techniques such as NMR spectroscopy and mass spectrometry are employed to confirm its structure and purity. These rigorous quality control measures are essential for its use in high-value applications, including pharmaceutical intermediates and specialty chemicals.

The compound’s stability and reactivity profile also make it a candidate for material science innovations. For instance, its incorporation into polymeric materials or coordination complexes could lead to advancements in functional materials with tailored properties. This aligns with the broader trend of smart materials and nanotechnology, which are revolutionizing industries from electronics to healthcare.

In conclusion, 2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone (CAS No. 126624-55-3) is a multifaceted compound with significant potential across diverse scientific disciplines. Its applications in drug discovery, agrochemicals, and material science underscore its importance in contemporary research. As the scientific community continues to explore its capabilities, this compound is poised to remain a key player in the advancement of synthetic chemistry and applied sciences.

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