Cas no 917226-74-5 (Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)-)

Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)-, is a fluorinated benzonitrile derivative featuring a hydroxyethoxy substituent at the 4-position. This compound is of interest in synthetic organic chemistry due to its dual functional groups, which enable its use as a versatile intermediate in pharmaceuticals, agrochemicals, and specialty materials. The fluorine atom enhances electrophilic reactivity, while the hydroxyethoxy side chain provides a handle for further derivatization, such as etherification or esterification. Its structural features make it valuable for designing bioactive molecules, particularly in medicinal chemistry, where fluorinated aromatic scaffolds are often employed to modulate pharmacokinetic properties. The compound is typically handled under standard laboratory conditions, requiring appropriate safety measures due to its nitrile group.
Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)- structure
917226-74-5 structure
Product Name:Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)-
CAS No:917226-74-5
MF:C9H8FNO2
MW:181.163725852966
CID:786692
PubChem ID:43657475
Update Time:2025-06-08

Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)-
    • 3-fluoro-4-(2-hydroxyethoxy)benzonitrile
    • MFCD12110271
    • DTXSID00656268
    • SCHEMBL1619495
    • A1-12108
    • 917226-74-5
    • AKOS009850491
    • XSUCKXYFTBYZMV-UHFFFAOYSA-N
    • Inchi: 1S/C9H8FNO2/c10-8-5-7(6-11)1-2-9(8)13-4-3-12/h1-2,5,12H,3-4H2
    • InChI Key: XSUCKXYFTBYZMV-UHFFFAOYSA-N
    • SMILES: FC1C=C(C#N)C=CC=1OCCO

Computed Properties

  • Exact Mass: 181.05390666g/mol
  • Monoisotopic Mass: 181.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 201
  • 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
  • Topological Polar Surface Area: 53.2?2

Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AY72832-5g
3-Fluoro-4-(2-hydroxyethoxy)benzonitrile
917226-74-5 95%
5g
$1098.00 2024-05-20
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1748974-1g
3-Fluoro-4-(2-hydroxyethoxy)benzonitrile
917226-74-5 98%
1g
¥12331.00 2024-04-25
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1748974-5g
3-Fluoro-4-(2-hydroxyethoxy)benzonitrile
917226-74-5 98%
5g
¥29947.00 2024-04-25

Additional information on Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)-

Recent Advances in the Study of Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)- (CAS: 917226-74-5)

The compound Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)- (CAS: 917226-74-5) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug development and therapeutic interventions. This research briefing aims to provide a comprehensive overview of the latest findings related to this compound, focusing on its synthesis, biological activity, and potential clinical applications.

Recent studies have highlighted the unique structural properties of Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)-, which make it a promising candidate for the development of novel kinase inhibitors. The presence of the fluoro and hydroxyethoxy functional groups in the benzonitrile scaffold has been shown to enhance its binding affinity to specific protein targets, particularly in the context of cancer therapy. Researchers have employed advanced computational modeling techniques to predict its interaction with key oncogenic kinases, such as EGFR and VEGFR, with promising in silico results.

In vitro and in vivo studies have further elucidated the compound's pharmacological profile. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)- exhibits potent inhibitory activity against tumor cell proliferation, with IC50 values in the low micromolar range for several cancer cell lines. Additionally, the compound showed favorable pharmacokinetic properties, including good oral bioavailability and metabolic stability, which are critical for its development as a therapeutic agent.

Another significant area of research involves the compound's potential application in neurodegenerative diseases. Preliminary findings suggest that Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)- may modulate neuroinflammatory pathways, offering a novel approach to treating conditions such as Alzheimer's disease. However, further preclinical studies are required to validate these findings and assess the compound's safety and efficacy in relevant animal models.

The synthesis of Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)- has also been optimized in recent years, with researchers developing more efficient and scalable routes to produce the compound in high yields. Green chemistry approaches, such as the use of catalytic methods and environmentally friendly solvents, have been employed to minimize the environmental impact of its production. These advancements are crucial for ensuring the compound's availability for further research and potential commercialization.

In conclusion, Benzonitrile, 3-fluoro-4-(2-hydroxyethoxy)- (CAS: 917226-74-5) represents a promising candidate for various therapeutic applications, particularly in oncology and neurodegenerative diseases. Its unique structural features, combined with its favorable pharmacological properties, make it a valuable subject of ongoing research. Future studies should focus on elucidating its mechanism of action, optimizing its therapeutic efficacy, and evaluating its safety profile in clinical trials.

Recommended suppliers
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.