Cas no 198143-64-5 (3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol)

3-(5-Chlorothiophen-2-yl)prop-2-yn-1-ol is a versatile synthetic intermediate featuring a chlorothiophene moiety linked to a propargylic alcohol group. This compound is particularly valuable in organic synthesis, serving as a key building block for the preparation of heterocyclic compounds, pharmaceuticals, and functional materials. The presence of both the chlorothiophene and propargyl alcohol functionalities enables diverse reactivity, including cross-coupling reactions, cyclizations, and derivatizations. Its structural attributes make it useful in medicinal chemistry for designing bioactive molecules, as well as in materials science for developing conjugated polymers. The compound’s stability and well-defined reactivity profile enhance its utility in precision synthesis applications.
3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol structure
198143-64-5 structure
Product Name:3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol
CAS No:198143-64-5
MF:C7H5ClOS
MW:172.631999731064
MDL:MFCD23865465
CID:3874721
PubChem ID:19261444
Update Time:2025-10-24

3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol Chemical and Physical Properties

Names and Identifiers

    • 2-Propyn-1-ol, 3-(5-chloro-2-thienyl)-
    • 3-(5-Chlorothiophen-2-yl)prop-2-yn-1-ol
    • AKOS005216170
    • SCHEMBL4387264
    • 198143-64-5
    • A1-09724
    • MPGLTYSJSMJBJT-UHFFFAOYSA-N
    • 3-(5-Chloro-thiophen-2-yl)-prop-2-yn-1-ol
    • 3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol
    • MDL: MFCD23865465
    • Inchi: 1S/C7H5ClOS/c8-7-4-3-6(10-7)2-1-5-9/h3-4,9H,5H2
    • InChI Key: MPGLTYSJSMJBJT-UHFFFAOYSA-N
    • SMILES: C(O)C#CC1SC(Cl)=CC=1

Computed Properties

  • Exact Mass: 171.9749636Da
  • Monoisotopic Mass: 171.9749636Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 169
  • 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: 2.1
  • Topological Polar Surface Area: 48.5?2

3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol Pricemore >>

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Additional information on 3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol

Comprehensive Overview of 3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol (CAS No. 198143-64-5)

3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol (CAS No. 198143-64-5) is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry, material science, and agrochemical research. This compound, characterized by its unique chlorothiophene and propargyl alcohol moieties, serves as a versatile building block for synthesizing more complex molecules. Its molecular structure, which includes a 5-chlorothiophene ring and a propynyl alcohol side chain, makes it particularly valuable for applications requiring fine-tuning of electronic and steric properties.

In recent years, the demand for 3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol has surged due to its role in the development of novel pharmaceuticals and advanced materials. Researchers are particularly interested in its potential as a precursor for heterocyclic compounds, which are widely used in drug discovery. The compound's chlorothiophene component is known for its bioisosteric properties, often replacing phenyl rings to enhance metabolic stability and bioavailability. This has led to its incorporation into several experimental drugs targeting central nervous system (CNS) disorders and infectious diseases.

Another area where 3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol shines is in the synthesis of conjugated polymers and organic semiconductors. The propargyl alcohol group allows for facile functionalization, enabling the creation of materials with tailored optoelectronic properties. This is particularly relevant in the context of sustainable energy solutions, where such materials are used in organic photovoltaics (OPVs) and light-emitting diodes (OLEDs). The compound's ability to act as a cross-linking agent further enhances its utility in polymer chemistry.

From an industrial perspective, 3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol is often discussed in forums and publications focusing on green chemistry and atom economy. Its synthesis can be optimized to minimize waste and reduce the use of hazardous reagents, aligning with the growing emphasis on environmentally friendly manufacturing processes. This has made it a topic of interest in patent literature, where innovative synthetic routes are frequently disclosed.

For those searching for CAS No. 198143-64-5 or 3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol, common queries often revolve around its spectroscopic data, solubility profile, and handling precautions. While the compound is not classified as hazardous under standard regulations, proper storage conditions—such as protection from moisture and light—are recommended to maintain its stability. Analytical techniques like NMR spectroscopy and mass spectrometry are typically employed to confirm its purity and structural integrity.

In summary, 3-(5-chlorothiophen-2-yl)prop-2-yn-1-ol (CAS No. 198143-64-5) is a multifaceted compound with broad applicability across scientific disciplines. Its relevance to drug development, advanced materials, and sustainable chemistry ensures that it remains a subject of ongoing research and commercial interest. As the scientific community continues to explore its potential, this compound is likely to play an increasingly prominent role in cutting-edge innovations.

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