Cas no 56921-01-8 (Methyl 5-methyl-4-nitrothiophene-2-carboxylate)

Methyl 5-methyl-4-nitrothiophene-2-carboxylate is a nitro-substituted thiophene derivative with significant utility in organic synthesis and pharmaceutical research. The compound features a carboxylate ester group at the 2-position and a nitro group at the 4-position, enhancing its reactivity as an intermediate for further functionalization. Its thiophene core contributes to stability and versatility in heterocyclic chemistry, while the electron-withdrawing nitro group facilitates nucleophilic substitution reactions. This compound is particularly valuable in the synthesis of bioactive molecules, agrochemicals, and materials science applications. High purity and well-defined structural properties ensure consistent performance in demanding synthetic workflows. Proper handling and storage are recommended due to its potential sensitivity to light and moisture.
Methyl 5-methyl-4-nitrothiophene-2-carboxylate structure
56921-01-8 structure
Product Name:Methyl 5-methyl-4-nitrothiophene-2-carboxylate
CAS No:56921-01-8
MF:C7H7NO4S
MW:201.199780702591
MDL:MFCD18642553
CID:946132
PubChem ID:268679
Update Time:2025-11-02

Methyl 5-methyl-4-nitrothiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-methyl-4-nitrothiophene-2-carboxylate
    • 4-nitro-5-methyl-2-methoxycarbonylthiophen
    • 5-Methyl-4-nitro-thiophen-2-carbonsaeure-methylester
    • 5-methyl-4-nitro-thiophene-2-carboxylic acid methyl ester
    • methyl 4-nitro-5-methylthiophene-2-carboxylate
    • SCHEMBL426359
    • EN300-191351
    • NSC 108993
    • CS-0153578
    • AKOS000278636
    • BS-32574
    • MFCD18642553
    • 2-Thiophenecarboxylic acid, 5-methyl-4-nitro-, methyl ester
    • NSC-108993
    • 5-methyl-4-nitrothiophene 2-carboxylic acid methyl ester
    • AB75847
    • methyl5-methyl-4-nitrothiophene-2-carboxylate
    • DTXSID20296382
    • NSC108993
    • 56921-01-8
    • SY166182
    • QXIFGUCZQLEFBZ-UHFFFAOYSA-N
    • D95098
    • DA-32286
    • MDL: MFCD18642553
    • Inchi: 1S/C7H7NO4S/c1-4-5(8(10)11)3-6(13-4)7(9)12-2/h3H,1-2H3
    • InChI Key: QXIFGUCZQLEFBZ-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OC)=CC(=C1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 201.01000
  • Monoisotopic Mass: 201.01
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 227
  • 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: 2
  • Topological Polar Surface Area: 100?2

Experimental Properties

  • Density: 1.388
  • Boiling Point: 328.3°C at 760 mmHg
  • Flash Point: 152.4°C
  • Refractive Index: 1.573
  • PSA: 100.36000
  • LogP: 2.27450
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Methyl 5-methyl-4-nitrothiophene-2-carboxylate Security Information

Methyl 5-methyl-4-nitrothiophene-2-carboxylate Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Methyl 5-methyl-4-nitrothiophene-2-carboxylate

Methyl 5-methyl-4-nitrothiophene-2-carboxylate: A Versatile Building Block in Organic Synthesis

Methyl 5-methyl-4-nitrothiophene-2-carboxylate (CAS No. 56921-01-8) is a specialized organic compound that has gained significant attention in recent years due to its unique chemical properties and wide range of applications. As a thiophene derivative, this compound serves as a valuable intermediate in pharmaceutical research and material science. The growing interest in heterocyclic compounds for drug discovery has positioned this chemical as an important subject of study among researchers worldwide.

The molecular structure of Methyl 5-methyl-4-nitrothiophene-2-carboxylate combines several functional groups that contribute to its reactivity and utility. The presence of both ester (-COOCH3) and nitro (-NO2) groups on the thiophene ring makes it particularly interesting for various organic transformations. Recent studies have shown its potential in creating novel biologically active molecules, especially in the development of antimicrobial agents and anti-inflammatory compounds.

In the context of current research trends, Methyl 5-methyl-4-nitrothiophene-2-carboxylate has been investigated for its role in green chemistry applications. Scientists are exploring its use in catalyzed reactions that minimize environmental impact, aligning with the global push toward sustainable chemical processes. The compound's stability under various conditions makes it suitable for flow chemistry applications, which are becoming increasingly popular in industrial settings.

The synthesis of Methyl 5-methyl-4-nitrothiophene-2-carboxylate typically involves nitration reactions of thiophene precursors followed by esterification. Researchers have developed several optimized protocols to improve yield and purity, with recent focus on solvent-free methods and microwave-assisted synthesis. These advancements address common questions in scientific forums about efficient preparation methods for this valuable intermediate.

From a commercial perspective, the demand for Methyl 5-methyl-4-nitrothiophene-2-carboxylate has been steadily increasing, particularly from pharmaceutical companies and research institutions. Market analysis shows growing interest in custom synthesis services for this compound, as well as inquiries about bulk availability and storage conditions. These trends reflect the compound's importance in modern medicinal chemistry applications.

Quality control aspects of Methyl 5-methyl-4-nitrothiophene-2-carboxylate are frequently discussed in technical forums. Standard characterization methods include HPLC analysis, NMR spectroscopy, and mass spectrometry. Recent publications have emphasized the importance of purity standards for research applications, especially when the compound is used in biological screening or material development.

Safety considerations for handling Methyl 5-methyl-4-nitrothiophene-2-carboxylate follow standard laboratory protocols for organic compounds. While not classified as hazardous under normal conditions, proper personal protective equipment and ventilation are recommended during handling. These precautions align with current industry standards for chemical safety and risk management in research environments.

The future outlook for Methyl 5-methyl-4-nitrothiophene-2-carboxylate appears promising, with ongoing research exploring its potential in polymer chemistry and electronic materials. Its structural features make it a candidate for developing conductive polymers and organic semiconductors, areas that are receiving significant attention in materials science. Additionally, its application in agrochemical research is being investigated, particularly in the development of novel crop protection agents.

For researchers seeking Methyl 5-methyl-4-nitrothiophene-2-carboxylate suppliers, it's important to consider factors such as technical specifications, batch consistency, and documentation quality. The compound is available from several specialty chemical providers, with options for custom synthesis and scale-up services to meet specific research requirements.

In conclusion, Methyl 5-methyl-4-nitrothiophene-2-carboxylate (CAS 56921-01-8) represents an important class of heterocyclic building blocks with diverse applications in modern chemistry. Its unique combination of functional groups and reactivity patterns continues to inspire new research directions, making it a compound of enduring interest in both academic and industrial settings. As synthetic methodologies advance and new applications emerge, this versatile molecule is likely to maintain its position as a valuable tool in organic synthesis and materials development.

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