Cas no 1105187-49-2 (1-(2,2-Diethoxyethyl)-5-nitro-1h-pyrrole-2-carboxylic acid ethyl ester)

1-(2,2-Diethoxyethyl)-5-nitro-1h-pyrrole-2-carboxylic acid ethyl ester is a specialized organic compound, featuring a nitro group and a pyrrole ring. This compound offers unique chemical properties, including high purity and stability, making it suitable for various synthetic applications. Its ethyl ester functionality enhances solubility, facilitating its use in organic synthesis reactions.
1-(2,2-Diethoxyethyl)-5-nitro-1h-pyrrole-2-carboxylic acid ethyl ester structure
1105187-49-2 structure
Product Name:1-(2,2-Diethoxyethyl)-5-nitro-1h-pyrrole-2-carboxylic acid ethyl ester
CAS No:1105187-49-2
MF:C13H20N2O6
MW:300.307703971863
MDL:MFCD11973836
CID:1038099
PubChem ID:44118264
Update Time:2025-10-16

1-(2,2-Diethoxyethyl)-5-nitro-1h-pyrrole-2-carboxylic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Ethyl 1-(2,2-diethoxyethyl)-5-nitro-1H-pyrrole-2-carboxylate
    • 1-(2,2-diethoxyethyl)-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester
    • SC2811
    • AKOS015843373
    • C13H20N2O6
    • J-502884
    • CS-0200140
    • A894886
    • W-204742
    • ethyl 1-(2,2-diethoxyethyl)-5-nitropyrrole-2-carboxylate
    • 1-(2,2-Diethoxyethyl)-5-nitro-1H-pyrrol-2-carboxylic acid ethyl ester
    • DB-060005
    • Ethyl1-(2,2-diethoxyethyl)-5-nitro-1H-pyrrole-2-carboxylate
    • DTXSID60656805
    • AS-54632
    • 1105187-49-2
    • SB62290
    • 1-(2,2-Diethoxyethyl)-5-nitro-1h-pyrrole-2-carboxylic acid ethyl ester
    • MDL: MFCD11973836
    • Inchi: 1S/C13H20N2O6/c1-4-19-12(20-5-2)9-14-10(13(16)21-6-3)7-8-11(14)15(17)18/h7-8,12H,4-6,9H2,1-3H3
    • InChI Key: WGXFNSFTGHOHPU-UHFFFAOYSA-N
    • SMILES: O(CC)C(CN1C(=CC=C1C(=O)OCC)[N+](=O)[O-])OCC

Computed Properties

  • Exact Mass: 300.13200
  • Monoisotopic Mass: 300.13213636g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 10
  • Complexity: 340
  • 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: 95.5?2

Experimental Properties

  • Density: 1.23
  • PSA: 95.51000
  • LogP: 2.49530

1-(2,2-Diethoxyethyl)-5-nitro-1h-pyrrole-2-carboxylic acid ethyl ester Security Information

1-(2,2-Diethoxyethyl)-5-nitro-1h-pyrrole-2-carboxylic acid ethyl ester 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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1-(2,2-Diethoxyethyl)-5-nitro-1h-pyrrole-2-carboxylic acid ethyl ester Related Literature

Additional information on 1-(2,2-Diethoxyethyl)-5-nitro-1h-pyrrole-2-carboxylic acid ethyl ester

Introduction to 1-(2,2-Diethoxyethyl)-5-nitro-1H-pyrrole-2-carboxylic Acid Ethyl Ester (CAS No. 1105187-49-2)

1-(2,2-Diethoxyethyl)-5-nitro-1H-pyrrole-2-carboxylic acid ethyl ester (CAS No. 1105187-49-2) is a versatile compound with significant applications in the fields of organic synthesis, pharmaceutical research, and material science. This compound is characterized by its unique structural features, which include a nitro group, an ester functional group, and a diethoxyethyl substituent. These functionalities endow the molecule with a range of chemical properties that make it an attractive candidate for various scientific and industrial applications.

The nitro group in the molecule is known for its strong electron-withdrawing properties, which can influence the reactivity and stability of the compound. This feature is particularly useful in synthetic chemistry, where the nitro group can serve as a versatile handle for further functionalization. For instance, recent studies have shown that the nitro group can be reduced to an amino group under mild conditions, allowing for the synthesis of more complex molecules with potential therapeutic applications.

The ester functional group in 1-(2,2-Diethoxyethyl)-5-nitro-1H-pyrrole-2-carboxylic acid ethyl ester is another key structural element. Esters are widely used in organic synthesis due to their stability and ease of manipulation. They can be hydrolyzed to carboxylic acids or converted to other functional groups through various chemical reactions. This versatility makes the compound a valuable intermediate in the synthesis of pharmaceuticals and other bioactive molecules.

The diethoxyethyl substituent adds further complexity to the molecule. Diethoxyethyl groups are known for their ability to enhance solubility and improve the overall stability of compounds. This property is particularly important in pharmaceutical research, where solubility and stability are critical factors in drug development. Recent advancements in drug delivery systems have highlighted the importance of solubility-enhancing moieties like diethoxyethyl groups in improving the bioavailability and efficacy of therapeutic agents.

In the context of pharmaceutical research, 1-(2,2-Diethoxyethyl)-5-nitro-1H-pyrrole-2-carboxylic acid ethyl ester has shown promise as a potential lead compound for the development of new drugs. Its unique combination of functional groups allows for a wide range of chemical modifications, making it suitable for high-throughput screening and structure-activity relationship (SAR) studies. Recent studies have explored its potential as an inhibitor of specific enzymes involved in various disease pathways, such as cancer and neurodegenerative disorders.

Material science is another area where this compound has found applications. The pyrrole ring in 1-(2,2-Diethoxyethyl)-5-nitro-1H-pyrrole-2-carboxylic acid ethyl ester is a fundamental building block for conducting polymers and other advanced materials. Conducting polymers have gained significant attention due to their unique electrical properties and potential applications in electronics, sensors, and energy storage devices. The presence of the nitro group and ester functional groups can further modulate the electronic properties of these materials, making them highly tunable for specific applications.

In summary, 1-(2,2-Diethoxyethyl)-5-nitro-1H-pyrrole-2-carboxylic acid ethyl ester (CAS No. 1105187-49-2) is a multifunctional compound with a wide range of applications in organic synthesis, pharmaceutical research, and material science. Its unique combination of functional groups provides researchers with a powerful tool for developing new drugs and advanced materials. As ongoing research continues to uncover new possibilities, this compound is likely to play an increasingly important role in various scientific and industrial fields.

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