Cas no 40313-66-4 (5-(2-chlorophenyl)furan-2-ylmethanol)

5-(2-Chlorophenyl)furan-2-ylmethanol is a versatile furan-based intermediate with a chlorophenyl substituent, offering utility in organic synthesis and pharmaceutical research. Its structure combines a reactive furan ring with a hydroxymethyl functional group, enabling further derivatization for the development of bioactive compounds or specialty chemicals. The presence of the 2-chlorophenyl moiety enhances its potential as a building block for heterocyclic systems, particularly in medicinal chemistry applications. This compound exhibits stability under standard conditions, facilitating handling and storage. Its synthetic flexibility makes it valuable for constructing complex molecular architectures, particularly in the exploration of furan-containing pharmacophores or functional materials.
5-(2-chlorophenyl)furan-2-ylmethanol structure
40313-66-4 structure
Product Name:5-(2-chlorophenyl)furan-2-ylmethanol
CAS No:40313-66-4
MF:C11H9ClO2
MW:208.640962362289
CID:328594
PubChem ID:4796268
Update Time:2025-06-26

5-(2-chlorophenyl)furan-2-ylmethanol Chemical and Physical Properties

Names and Identifiers

    • 2-Furanmethanol,5-(2-chlorophenyl)-
    • [5-(2-Chlorophenyl)-2-furyl]methanol
    • [5-(2-Chloro-phenyl)-furan-2-yl]-methanol
    • [5-(2-chlorophenyl)furan-2-yl]methanol
    • 2-(2-CHLOROPHENYL)-5-(HYDROXYMETHYL)FURAN
    • chlorophenylfurylmethanol
    • 40313-66-4
    • DTXSID90406557
    • BB 0245445
    • SR-01000071302
    • CS-0320133
    • CA-0703
    • SB61258
    • MFCD02628435
    • FT-0639636
    • AKOS000107763
    • Z57727897
    • BDBM50175427
    • (5-(2-chlorophenyl)furan-2-yl)methanol
    • CCG-314870
    • (5-(2-chlorophenyl)-2-furyl)methanol
    • J-501492
    • [5-(2-chloro-phenyl)furan-2-yl]methanol
    • CHEMBL199389
    • SCHEMBL282040
    • EN300-5363052
    • A825047
    • SR-01000071302-1
    • STL196754
    • 5-(2-chlorophenyl)furan-2-ylmethanol
    • MDL: MFCD02628435
    • Inchi: 1S/C11H9ClO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-6,13H,7H2
    • InChI Key: MLOIDTAKKFVGGW-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1C1=CC=C(CO)O1

Computed Properties

  • Exact Mass: 208.02900
  • Monoisotopic Mass: 208.0291072g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 2.4
  • Topological Polar Surface Area: 33.4?2

Experimental Properties

  • Density: 1.277
  • Melting Point: 53-55°C
  • Boiling Point: 315.3oC at 760 mmHg
  • Flash Point: 144.5oC
  • Refractive Index: 1.581
  • PSA: 33.37000
  • LogP: 3.09230

5-(2-chlorophenyl)furan-2-ylmethanol Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

5-(2-chlorophenyl)furan-2-ylmethanol Customs Data

  • HS CODE:2932190090
  • Customs Data:

    China Customs Code:

    2932190090

    Overview:

    2932190090 Other structurally non fused furan ring compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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Additional information on 5-(2-chlorophenyl)furan-2-ylmethanol

Introduction to 5-(2-chlorophenyl)furan-2-ylmethanol (CAS No. 40313-66-4)

5-(2-chlorophenyl)furan-2-ylmethanol, identified by its Chemical Abstracts Service (CAS) number 40313-66-4, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This molecule, featuring a furan core substituted with a 2-chlorophenyl group and a hydroxymethyl moiety, has garnered attention due to its structural versatility and potential biological activities. The compound’s unique scaffold makes it a valuable intermediate in the synthesis of various pharmacologically relevant molecules, particularly in the development of novel therapeutic agents.

The furan ring, a five-membered heterocyclic structure containing an oxygen atom, is well-documented for its role in numerous bioactive natural products and synthetic drugs. Its electron-deficient nature and ability to engage in hydrogen bonding interactions make it a preferred motif in medicinal chemistry. In 5-(2-chlorophenyl)furan-2-ylmethanol, the hydroxymethyl (-CH?OH) group introduces a polar hydrophilic region, enhancing solubility and interaction with biological targets. The presence of the 2-chlorophenyl substituent further modulates the electronic properties of the molecule, influencing its reactivity and binding affinity.

Recent advancements in drug discovery have highlighted the importance of heterocyclic compounds in addressing unmet medical needs. The furan scaffold, in particular, has been extensively explored for its potential in treating conditions such as cancer, inflammation, and infectious diseases. Studies have demonstrated that furan derivatives can exhibit inhibitory effects on various enzymes and receptors involved in disease pathways. For instance, modifications of the furan ring have been shown to enhance binding to targets like protein kinases and transcription factors, which are critical in regulating cellular processes.

One of the notable features of 5-(2-chlorophenyl)furan-2-ylmethanol is its synthetic accessibility. The compound can be readily prepared through established organic transformations, such as nucleophilic substitution reactions or palladium-catalyzed cross-coupling reactions. These synthetic pathways allow for facile modifications of the molecule’s structure, enabling researchers to explore analogues with tailored properties. The ability to modify both the furan core and the 2-chlorophenyl substituent provides a rich chemical space for discovering new bioactive entities.

In the context of modern drug development, computational methods play a pivotal role in predicting the biological activity of molecules. Molecular docking studies have been employed to evaluate how 5-(2-chlorophenyl)furan-2-ylmethanol interacts with potential target proteins. Preliminary simulations suggest that the compound may bind effectively to enzymes implicated in metabolic disorders and neurological diseases. These findings align with emerging research indicating that furan-based compounds can modulate key biological pathways relevant to human health.

The pharmaceutical industry has increasingly recognized the therapeutic potential of 5-(2-chlorophenyl)furan-2-ylmethanol and related derivatives. Researchers are investigating its efficacy as a precursor for developing novel antiviral agents, anticancer drugs, and anti-inflammatory therapies. The compound’s structural features offer opportunities for designing molecules with improved pharmacokinetic profiles, such as enhanced bioavailability and reduced toxicity. Such attributes are crucial for translating preclinical findings into viable clinical candidates.

Moreover, green chemistry principles have influenced the synthesis of 5-(2-chlorophenyl)furan-2-ylmethanol, promoting sustainable methodologies that minimize waste and energy consumption. Catalytic processes and solvent-free reactions have been explored to improve efficiency while adhering to environmental standards. These efforts underscore the growing emphasis on sustainable practices in pharmaceutical manufacturing, ensuring that drug development remains both innovative and eco-friendly.

Future directions in studying 5-(2-chlorophenyl)furan-2-ylmethanol include exploring its role in combination therapies. By pairing this compound with other bioactive molecules, researchers aim to achieve synergistic effects that could enhance therapeutic outcomes. Additionally, investigating its mechanism of action at a molecular level will provide deeper insights into its biological effects. Such knowledge is essential for optimizing drug design and improving patient responses.

In conclusion, 5-(2-chlorophenyl)furan-2-ylmethanol (CAS No. 40313-66-4) represents a promising candidate in pharmaceutical research due to its versatile structure and potential biological activities. Its unique combination of a furan core, a hydroxymethyl group, and a 2-chlorophenyl substituent positions it as a valuable building block for developing novel therapeutics. As scientific understanding evolves, this compound is poised to contribute significantly to advancements in medicine and drug discovery.

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