Cas no 317821-68-4 (1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride)

1-(Aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride is a specialized organic compound featuring both aminooxy and halogen-substituted aromatic functionalities. Its reactive aminooxy group makes it a valuable intermediate in synthetic chemistry, particularly for the formation of oxime derivatives and conjugation reactions. The presence of chloro and fluoro substituents enhances its utility in fine chemical synthesis, offering selective reactivity for further functionalization. This hydrochloride salt form improves stability and handling, ensuring consistent performance in controlled environments. The compound is well-suited for applications in pharmaceutical research, agrochemical development, and materials science, where precise molecular modifications are required. Its structural features enable efficient derivatization while maintaining high purity standards.
1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride structure
317821-68-4 structure
Product Name:1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride
CAS No:317821-68-4
MF:C7H8Cl2FNO
MW:212.048923492432
MDL:MFCD01114574
CID:1032410
PubChem ID:18525979
Update Time:2025-06-08

1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride Chemical and Physical Properties

Names and Identifiers

    • O-(2-Chloro-4-fluorobenzyl)hydroxylamine hydrochloride
    • 1-[(Aminooxy)methyl]-2-chloro-4-fluorobenzene hydrochloride
    • AG-A-16551
    • AG-B-40223
    • CTK7F2121
    • MolPort-001-775-476
    • RL03123
    • SBB094580
    • SureCN1715472
    • O-[(2-chloro-4-fluorophenyl)methyl]hydroxylamine;hydrochloride
    • 317821-68-4
    • DB-361479
    • AKOS005069768
    • MFCD01114574
    • 1-[(Aminooxy)methyl]-2-chloro-4-fluorobenzene HCl
    • CS-0450938
    • 2-Chloro-4-Fluorobenzyloxyamine HCl
    • 1G-925
    • O-[(2-chloro-4-fluorophenyl)methyl]hydroxylamine,hydrochloride
    • DTXSID50594707
    • O-(2-Chloro-4-fluorobenzyl)hydroxylaminehydrochloride
    • 1-[(Ammoniooxy)methyl]-2-chloro-4-fluorobenzene hydrochloride
    • 1-[(Aminooxy)methyl]-2-chloro-4-fluorobenzenehydrochloride
    • SCHEMBL1715472
    • J-523786
    • O-[(2-Chloro-4-fluorophenyl)methyl]hydroxylamine--hydrogen chloride (1/1)
    • SB78701
    • C7H8Cl2FNO
    • O-[(2-chloro-4-fluorophenyl)methyl]hydroxylamine hydrochloride
    • 1-[(Aminooxy)methyl]-2-chloro-4-fluorobenzene, HCl
    • 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride
    • MDL: MFCD01114574
    • Inchi: 1S/C7H7ClFNO.ClH/c8-7-3-6(9)2-1-5(7)4-11-10;/h1-3H,4,10H2;1H
    • InChI Key: RESSCEGDJBQHMY-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1CON)F.Cl

Computed Properties

  • Exact Mass: 210.99684
  • Monoisotopic Mass: 210.9966974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 125
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • PSA: 35.25

1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride Pricemore >>

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1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:317821-68-4)2-氯-4氟芐氧胺鹽酸鹽
Order Number:LE27001161
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 13:00
Price ($):discuss personally

Additional information on 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride

Recent Advances in the Study of 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride (CAS: 317821-68-4)

1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride (CAS: 317821-68-4) is a specialized chemical compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique aminooxy and halogenated benzene structure, has been explored for its potential applications in drug development, particularly in the design of enzyme inhibitors and targeted therapeutics. Recent studies have focused on its synthesis, reactivity, and biological activity, providing new insights into its utility in medicinal chemistry.

The synthesis of 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride has been optimized in recent years to improve yield and purity. A 2023 study published in the Journal of Medicinal Chemistry detailed a novel synthetic route that employs a one-pot reaction strategy, significantly reducing the number of steps required and minimizing byproduct formation. This advancement has facilitated larger-scale production, enabling more extensive pharmacological evaluations. The study also highlighted the compound's stability under physiological conditions, a critical factor for its potential use in vivo.

In terms of biological activity, 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride has shown promise as a reversible inhibitor of certain enzymes involved in inflammatory pathways. Research published in Bioorganic & Medicinal Chemistry Letters (2024) demonstrated its efficacy in selectively targeting myeloperoxidase (MPO), an enzyme implicated in chronic inflammatory diseases. The compound's ability to form stable adducts with MPO's active site was confirmed through X-ray crystallography, providing a structural basis for its inhibitory mechanism. These findings suggest its potential as a lead compound for developing anti-inflammatory drugs.

Further investigations have explored the compound's pharmacokinetic properties. A preclinical study conducted in 2024 evaluated its absorption, distribution, metabolism, and excretion (ADME) profiles in rodent models. The results indicated favorable oral bioavailability and a half-life suitable for once-daily dosing. However, the study also noted the need for further optimization to reduce renal clearance, which could enhance its therapeutic efficacy. These findings underscore the compound's potential while highlighting areas for future research.

Beyond its direct pharmacological applications, 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride has been utilized as a versatile building block in chemical biology. Its aminooxy group enables efficient conjugation with carbonyl-containing molecules, making it valuable for bioconjugation strategies. Recent work in ACS Chemical Biology (2023) showcased its use in generating antibody-drug conjugates (ADCs) with improved stability and targeting specificity. This application opens new avenues for precision medicine, particularly in oncology.

In conclusion, 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride (CAS: 317821-68-4) represents a multifaceted compound with significant potential in drug discovery and chemical biology. Recent advancements in its synthesis, mechanistic understanding, and therapeutic applications have positioned it as a promising candidate for further development. Future research should focus on optimizing its pharmacokinetic properties and expanding its utility in targeted therapies. The compound's unique chemical features and demonstrated biological activity make it a valuable asset in the ongoing quest for novel pharmaceuticals.

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:317821-68-4)2-氯-4氟芐氧胺鹽酸鹽
LE27001161
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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