Cas no 130562-97-9 (Ethyl 4,5-dichlorothiophene-2-carboxylate)

Ethyl 4,5-dichlorothiophene-2-carboxylate is a chlorinated thiophene derivative with significant utility in organic synthesis and pharmaceutical intermediates. Its structure features a carboxylate ester group at the 2-position and chlorine substituents at the 4- and 5-positions, enhancing its reactivity in cross-coupling reactions and functional group transformations. This compound serves as a versatile building block for the preparation of heterocyclic compounds, agrochemicals, and bioactive molecules. The dichlorination pattern improves electrophilic substitution selectivity, while the ethyl ester group offers flexibility for further derivatization. Its stability and well-defined reactivity make it a valuable reagent for researchers in medicinal and materials chemistry.
Ethyl 4,5-dichlorothiophene-2-carboxylate structure
130562-97-9 structure
Product Name:Ethyl 4,5-dichlorothiophene-2-carboxylate
CAS No:130562-97-9
MF:C7H6Cl2O2S
MW:225.092339038849
CID:1038702
PubChem ID:14639930
Update Time:2025-06-29

Ethyl 4,5-dichlorothiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4,5-dichlorothiophene-2-carboxylate
    • SCHEMBL8628775
    • DTXSID70562468
    • 2-Thiophenecarboxylic acid, 4,5-dichloro-, ethyl ester
    • Ethyl4,5-dichlorothiophene-2-carboxylate
    • CS-0337963
    • F11927
    • 4,5-dichloro-2-thiophenecarboxylic acid ethyl ester
    • KVTBSWABMQAIMZ-UHFFFAOYSA-N
    • 130562-97-9
    • MDL: MFCD23135681
    • Inchi: 1S/C7H6Cl2O2S/c1-2-11-7(10)5-3-4(8)6(9)12-5/h3H,2H2,1H3
    • InChI Key: KVTBSWABMQAIMZ-UHFFFAOYSA-N
    • SMILES: ClC1=C(SC(C(=O)OCC)=C1)Cl

Computed Properties

  • Exact Mass: 223.94700
  • Monoisotopic Mass: 223.9465560g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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: 3.7
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • PSA: 54.54000
  • LogP: 3.23160

Ethyl 4,5-dichlorothiophene-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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Ethyl 4,5-dichlorothiophene-2-carboxylate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:130562-97-9)Ethyl 4,5-dichlorothiophene-2-carboxylate
Order Number:A856609
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:01
Price ($):237.0

Ethyl 4,5-dichlorothiophene-2-carboxylate Related Literature

Additional information on Ethyl 4,5-dichlorothiophene-2-carboxylate

Ethyl 4,5-Dichlorothiophene-2-Carboxylate: A Comprehensive Overview

Ethyl 4,5-dichlorothiophene-2-carboxylate (CAS No. 130562-97-9) is a versatile organic compound with significant applications in various fields of chemistry. This compound, belonging to the thiophene derivatives family, has gained attention due to its unique properties and potential uses in materials science, pharmaceuticals, and agrochemicals. The molecule consists of a thiophene ring substituted with two chlorine atoms at positions 4 and 5 and an ethyl ester group at position 2. Its structure allows for a wide range of chemical reactions, making it a valuable intermediate in organic synthesis.

Recent studies have highlighted the importance of Ethyl 4,5-dichlorothiophene-2-carboxylate in the development of advanced materials. Researchers have explored its role as a precursor for synthesizing thiophene-based polymers, which exhibit excellent electrical conductivity and mechanical stability. These polymers are being investigated for use in flexible electronics, such as organic light-emitting diodes (OLEDs) and thin-film transistors (TFTs). The presence of chlorine substituents enhances the electron-withdrawing effects, which can significantly influence the electronic properties of the resulting materials.

In the pharmaceutical industry, Ethyl 4,5-dichlorothiophene-2-carboxylate has shown promise as a building block for developing bioactive compounds. Its thiophene ring is known to exhibit anti-inflammatory and antioxidant properties, making it a potential candidate for drug discovery. Recent research has focused on modifying the substituents on the thiophene ring to enhance bioavailability and target-specific activity. For instance, studies have demonstrated that derivatives of this compound can inhibit certain enzymes associated with neurodegenerative diseases, opening new avenues for therapeutic interventions.

The synthesis of Ethyl 4,5-dichlorothiophene-2-carboxylate involves a multi-step process that typically starts with the preparation of dichlorothiophene carboxylic acid. This is followed by esterification using ethanol to yield the ethyl ester. The reaction conditions are carefully optimized to ensure high yield and purity. Researchers have also explored alternative synthetic routes, such as microwave-assisted synthesis and catalytic methods, to improve efficiency and reduce environmental impact.

From an environmental perspective, understanding the degradation pathways of Ethyl 4,5-dichlorothiophene-2-carboxylate is crucial for assessing its ecological impact. Studies have shown that this compound undergoes hydrolysis under specific conditions, leading to the formation of biodegradable byproducts. However, further research is needed to evaluate its long-term effects on aquatic ecosystems and soil microorganisms.

In conclusion, Ethyl 4,5-dichlorothiophene-2-carboxylate (CAS No. 130562-97-9) is a multifaceted compound with diverse applications across various industries. Its unique chemical structure and reactivity make it an invaluable tool in organic synthesis and material science. As research continues to uncover new potential uses and improve synthetic methods, this compound is expected to play an increasingly important role in advancing technological and medical innovations.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:130562-97-9)Ethyl 4,5-dichlorothiophene-2-carboxylate
A856609
Purity:99%
Quantity:1g
Price ($):237.0
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