Cas no 1363166-21-5 (Ethyl 4-Boc-2-homomorpholinecarboxylate)

Ethyl 4-Boc-2-homomorpholinecarboxylate is a protected morpholine derivative widely used as an intermediate in organic synthesis and pharmaceutical research. The presence of the Boc (tert-butoxycarbonyl) group ensures stability under various reaction conditions while allowing selective deprotection when required. The ethyl ester moiety enhances solubility in organic solvents, facilitating further functionalization. This compound is particularly valuable in the synthesis of complex heterocycles and bioactive molecules due to its rigid morpholine scaffold, which can impart conformational constraints. Its high purity and well-defined reactivity make it a reliable building block for medicinal chemistry and peptide mimetics. Proper handling under inert conditions is recommended to preserve its integrity.
Ethyl 4-Boc-2-homomorpholinecarboxylate structure
1363166-21-5 structure
Product Name:Ethyl 4-Boc-2-homomorpholinecarboxylate
CAS No:1363166-21-5
MF:C13H23NO5
MW:273.325424432755
MDL:MFCD21364423
CID:1056956
PubChem ID:73553973
Update Time:2025-11-01

Ethyl 4-Boc-2-homomorpholinecarboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-tert-Butyl 2-ethyl 1,4-oxazepane-2,4-dicarboxylate
    • 4-O-tert-butyl 2-O-ethyl 1,4-oxazepane-2,4-dicarboxylate
    • Ethyl 4-Boc-2-homomorpholinecarboxylate
    • 6771AJ
    • Ethyl4-Boc-2-homomorpholinecarboxylate
    • SY018265
    • AKOS022184131
    • 4-(Tert-butyl) 2-ethyl 1,4-oxazepane-2,4-dicarboxylate
    • MFCD21364423
    • AC1851
    • DB-319449
    • AMY20492
    • 1363166-21-5
    • 1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 4-(1,1-dimethylethyl) 2-ethyl ester
    • DTXSID401123180
    • CS-11376
    • CS-0445482
    • O4-tert-butyl O2-ethyl 1,4-oxazepane-2,4-dicarboxylate
    • MDL: MFCD21364423
    • Inchi: 1S/C13H23NO5/c1-5-17-11(15)10-9-14(7-6-8-18-10)12(16)19-13(2,3)4/h10H,5-9H2,1-4H3
    • InChI Key: NFMNWHFTGYMZQU-UHFFFAOYSA-N
    • SMILES: O1CCCN(C(=O)OC(C)(C)C)CC1C(=O)OCC

Computed Properties

  • Exact Mass: 273.15800
  • Monoisotopic Mass: 273.15762283g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 324
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 65.099
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 346.7±42.0℃/760mmHg
  • Flash Point: 69.0±10.2 °C
  • PSA: 65.07000
  • LogP: 1.51340
  • Vapor Pressure: 1.2±0.3 mmHg at 25°C

Ethyl 4-Boc-2-homomorpholinecarboxylate Security Information

Ethyl 4-Boc-2-homomorpholinecarboxylate Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ethyl 4-Boc-2-homomorpholinecarboxylate Pricemore >>

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Ethyl 4-Boc-2-homomorpholinecarboxylate Related Literature

Additional information on Ethyl 4-Boc-2-homomorpholinecarboxylate

Research Brief on Ethyl 4-Boc-2-homomorpholinecarboxylate (CAS: 1363166-21-5): Recent Advances and Applications

Ethyl 4-Boc-2-homomorpholinecarboxylate (CAS: 1363166-21-5) is a key intermediate in the synthesis of various bioactive compounds, particularly in the field of medicinal chemistry. Recent studies have highlighted its significance in the development of novel therapeutic agents, owing to its unique structural properties and versatility in chemical transformations. This research brief aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, applications, and potential in drug discovery.

One of the most notable advancements in the use of Ethyl 4-Boc-2-homomorpholinecarboxylate is its role in the synthesis of morpholine derivatives, which are widely recognized for their pharmacological activities. Recent publications have demonstrated its efficacy as a building block in the construction of complex molecules, particularly those targeting central nervous system (CNS) disorders. Researchers have successfully utilized this compound to develop potent inhibitors of enzymes involved in neurodegenerative diseases, such as Alzheimer's and Parkinson's.

In addition to its applications in CNS drug development, Ethyl 4-Boc-2-homomorpholinecarboxylate has also been employed in the synthesis of anticancer agents. A 2023 study published in the Journal of Medicinal Chemistry reported the use of this compound in the design of small-molecule inhibitors targeting specific oncogenic pathways. The study highlighted the compound's ability to enhance the bioavailability and metabolic stability of the resulting drug candidates, making it a valuable tool in oncology research.

From a synthetic chemistry perspective, recent efforts have focused on optimizing the production of Ethyl 4-Boc-2-homomorpholinecarboxylate to improve yield and purity. Advances in catalytic methods, such as the use of palladium-catalyzed reactions, have significantly streamlined its synthesis, reducing the need for hazardous reagents and minimizing environmental impact. These improvements are expected to facilitate broader adoption of this compound in both academic and industrial settings.

Looking ahead, the potential of Ethyl 4-Boc-2-homomorpholinecarboxylate in drug discovery remains vast. Ongoing research is exploring its utility in the development of next-generation antibiotics and antiviral agents, particularly in response to the growing threat of antimicrobial resistance. Furthermore, its compatibility with green chemistry principles positions it as a sustainable option for future pharmaceutical manufacturing.

In conclusion, Ethyl 4-Boc-2-homomorpholinecarboxylate (CAS: 1363166-21-5) continues to be a pivotal compound in the field of medicinal chemistry, with its applications expanding across various therapeutic areas. The latest research underscores its versatility, efficacy, and potential for innovation, making it a subject of enduring interest for researchers and industry professionals alike.

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