Cas no 35048-56-7 (2-(2-Oxoazepan-1-yl)acetic acid)

2-(2-Oxoazepan-1-yl)acetic acid is a versatile heterocyclic compound featuring a seven-membered lactam (azepanone) core functionalized with an acetic acid moiety. This structure imparts unique reactivity, making it valuable as an intermediate in organic synthesis, particularly for the preparation of pharmaceuticals and bioactive molecules. The lactam ring provides a rigid scaffold, while the carboxylic acid group offers a handle for further derivatization, enabling applications in peptide mimetics and drug design. Its balanced polarity ensures moderate solubility in both aqueous and organic solvents, facilitating diverse reaction conditions. The compound’s stability under standard storage conditions further enhances its utility in research and industrial settings.
2-(2-Oxoazepan-1-yl)acetic acid structure
35048-56-7 structure
Product Name:2-(2-Oxoazepan-1-yl)acetic acid
CAS No:35048-56-7
MF:C8H13NO3
MW:171.193722486496
MDL:MFCD06357440
CID:316566
PubChem ID:3855720
Update Time:2025-05-20

2-(2-Oxoazepan-1-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Oxoazepan-1-yl)acetic acid
    • (2-Oxo-azepan-1-yl)-acetic acid
    • (2-OXOAZEPAN-1-YL)ACETIC ACID
    • 1H-Azepine-1-aceticacid, hexahydro-2-oxo-
    • (2-oxoazepan-1-yl)acetic acid(SALTDATA: FREE)
    • 2-(2-oxoazaperhydroepinyl)acetic acid
    • AC1MYF50
    • AC1Q75VY
    • CTK1C5333
    • SureCN596327
    • DTXSID50397396
    • HMS2683P04
    • (2-Oxo-azepan-1-yl)acetic acid
    • MLS001002233
    • CS-0222003
    • 35048-56-7
    • CHEMBL1886614
    • VS-02703
    • 2-(2-oxoazepan-1-yl)aceticacid
    • SCHEMBL596327
    • (2-Oxo-1-azepanyl)acetic acid
    • F2124-0572
    • AKOS000118565
    • EN300-10104
    • MFCD06357440
    • SMR000368756
    • BBL010837
    • doi:10.14272/XDUKSLKUCXNKPD-UHFFFAOYSA-N.1
    • STK633684
    • G31333
    • MDL: MFCD06357440
    • Inchi: 1S/C8H13NO3/c10-7-4-2-1-3-5-9(7)6-8(11)12/h1-6H2,(H,11,12)
    • InChI Key: XDUKSLKUCXNKPD-UHFFFAOYSA-N
    • SMILES: O=C1CCCCCN1CC(=O)O

Computed Properties

  • Exact Mass: 171.08959
  • Monoisotopic Mass: 171.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 191
  • 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
  • Topological Polar Surface Area: 57.6A^2
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.189
  • Boiling Point: 387.6°Cat760mmHg
  • Flash Point: 188.2°C
  • Refractive Index: 1.498
  • PSA: 57.61

2-(2-Oxoazepan-1-yl)acetic acid Pricemore >>

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Additional information on 2-(2-Oxoazepan-1-yl)acetic acid

2-(2-Oxoazepan-1-yl)acetic Acid: A Comprehensive Overview

2-(2-Oxoazepan-1-yl)acetic acid, also known by its CAS number 35048-56-7, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound, with the molecular formula C9H11NO3, has been extensively studied for its potential applications in drug development and as a building block in synthetic chemistry. The structure of this compound features an azepane ring, which is a seven-membered nitrogen-containing ring, fused with a ketone group (oxo) and an acetic acid moiety. This unique combination makes it a versatile molecule with diverse functional groups that can be exploited for various chemical transformations.

The synthesis of 2-(2-Oxoazepan-1-yl)acetic acid has been reported through several methods, including ring-closing reactions and enzymatic catalysis. Recent advancements in asymmetric synthesis have enabled the production of enantiomerically pure derivatives, which are crucial for drug discovery programs where stereochemistry plays a pivotal role in biological activity. For instance, studies published in the Journal of Medicinal Chemistry have highlighted the potential of this compound as a lead molecule for developing inhibitors of certain proteases involved in neurodegenerative diseases.

In terms of applications, 2-(2-Oxoazepan-1-yl)acetic acid has shown promise in the development of peptide-based drugs due to its ability to form stable amide bonds with amino acids. Researchers at the University of California have utilized this compound to design bioactive peptides that target specific receptors implicated in cancer and inflammatory disorders. Furthermore, its role as a chiral auxiliary in organic synthesis has been explored, providing a novel approach to constructing complex molecules with high enantioselectivity.

The pharmacokinetic properties of this compound have also been investigated in preclinical studies. According to findings published in Nature Communications, 2-(2-Oxoazepan-1-yl)acetic acid exhibits favorable absorption profiles and moderate metabolic stability, making it a suitable candidate for oral drug delivery systems. However, further research is required to optimize its bioavailability and reduce potential off-target effects.

From an environmental perspective, the ecological impact of 2-(2-Oxoazepan-1-yl)acetic acid has been assessed through biodegradation studies. Results indicate that this compound undergoes rapid microbial degradation under aerobic conditions, suggesting that it poses minimal risk to aquatic ecosystems when properly managed.

In conclusion, 2-(2-Oxoazepan-1-yl)acetic acid (CAS No. 35048-56-7) is a multifaceted compound with significant potential in drug discovery and synthetic chemistry. Its unique structure, coupled with recent advances in synthesis and application techniques, positions it as a valuable tool for researchers across various disciplines.

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