Cas no 117565-57-8 (tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate)

Tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate is a versatile intermediate in organic synthesis, particularly valuable for the construction of piperidine-based frameworks. The tert-butyloxycarbonyl (Boc) protecting group enhances stability and facilitates selective deprotection under mild acidic conditions, making it suitable for multi-step synthetic routes. The 3-ethyl and 4-oxo substituents provide functional handles for further derivatization, enabling applications in pharmaceutical and agrochemical research. Its well-defined reactivity profile and compatibility with standard purification techniques ensure reliable performance in complex transformations. This compound is particularly useful in the synthesis of bioactive molecules, where controlled modification of the piperidine core is required.
tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate structure
117565-57-8 structure
Product Name:tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate
CAS No:117565-57-8
MF:C12H21NO3
MW:227.300043821335
MDL:MFCD08460961
CID:131563
PubChem ID:22278903
Update Time:2025-10-22

tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-ethyl-4-oxopiperidine-1-carboxylate
    • 1-Boc-3-Ethyl-piperidin-4-one
    • 1-Piperidinecarboxylicacid, 3-ethyl-4-oxo-, 1,1-dimethylethyl ester
    • 3-Ethyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
    • N-tert.-butoxycarbonyl-3-ethyl-4-piperidone
    • 1-Boc-3-ethyl-4-piperidinone
    • 1-PIPERIDINECARBOXYLIC ACID, 3-ETHYL-4-OXO-, 1,1-DIMETHYLETHYL ESTER
    • HGJKZGGZDSJORL-UHFFFAOYSA-N
    • RL00657
    • AK117144
    • X6496
    • N-tert.-butoxyca
    • tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate
    • AMY36716
    • EN300-768644
    • t-Butyl 3-ethyl-4-oxopiperidine-1-carboxylate
    • tert-Butyl3-ethyl-4-oxopiperidine-1-carboxylate
    • J-524536
    • MFCD08460961
    • CS-0061469
    • O12122
    • AKOS015904251
    • 117565-57-8
    • SY057548
    • SCHEMBL656014
    • DTXSID00624245
    • DS-4827
    • FT-0739091
    • tert-butyl (3S)-3-ethyl-4-oxopiperidine-1-carboxylate
    • 2566175-04-8
    • DB-061033
    • MDL: MFCD08460961
    • Inchi: 1S/C12H21NO3/c1-5-9-8-13(7-6-10(9)14)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3
    • InChI Key: HGJKZGGZDSJORL-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCC(C(CC)C1)=O)=O

Computed Properties

  • Exact Mass: 227.15200
  • Monoisotopic Mass: 227.15214353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 281
  • 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: 46.6
  • XLogP3: 1.5

Experimental Properties

  • PSA: 46.61000
  • LogP: 2.16040

tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate Security Information

tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:117565-57-8)1-BOC-3-ETHYL-PIPERIDIN-4-ONE
Order Number:sfd12903
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally

Additional information on tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate

Comprehensive Overview of tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate (CAS No. 117565-57-8)

tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate (CAS No. 117565-57-8) is a specialized organic compound widely utilized in pharmaceutical and chemical research. This piperidine derivative is particularly valued for its role as an intermediate in the synthesis of bioactive molecules. The compound's unique structure, featuring a tert-butyl group and a 4-oxo-piperidine core, makes it a versatile building block in medicinal chemistry. Researchers often explore its applications in drug discovery, especially in the development of central nervous system (CNS) therapeutics and enzyme inhibitors.

In recent years, the demand for tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate has surged due to its relevance in addressing modern healthcare challenges. For instance, its potential role in targeting neurodegenerative diseases like Alzheimer's and Parkinson's has garnered significant attention. The compound's ability to modulate specific biochemical pathways aligns with the growing focus on precision medicine. Additionally, its applications in peptide synthesis and protease inhibitor development have made it a subject of interest in both academic and industrial settings.

The synthesis of tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate involves multi-step organic reactions, often starting from readily available precursors. Key steps include the introduction of the 3-ethyl substituent and the formation of the 4-oxo (ketone) functionality. The tert-butyloxycarbonyl (Boc) protecting group is a critical feature, ensuring stability during subsequent reactions. This compound's purity and yield are meticulously controlled, as they directly impact its efficacy in downstream applications. Analytical techniques such as HPLC, NMR, and mass spectrometry are routinely employed for quality assurance.

From an industrial perspective, tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate is often sourced from specialized chemical suppliers who adhere to stringent regulatory standards. Its storage and handling require attention to moisture sensitivity and temperature control to maintain integrity. The compound's compatibility with various solvents, including dichloromethane and tetrahydrofuran, further enhances its utility in diverse synthetic protocols. As sustainability becomes a priority, researchers are also exploring greener synthesis routes for this intermediate.

The scientific community continues to investigate novel derivatives of tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate to expand its therapeutic potential. For example, modifications to the ethyl side chain or the piperidine ring have yielded compounds with enhanced bioavailability and selectivity. Such innovations are particularly relevant in the context of personalized medicine, where tailored molecular designs are essential. Furthermore, computational chemistry tools are increasingly used to predict the compound's interactions with biological targets, accelerating drug discovery workflows.

In summary, tert-butyl 3-ethyl-4-oxo-piperidine-1-carboxylate (CAS No. 117565-57-8) represents a critical tool in modern chemical and pharmaceutical research. Its structural features and functional groups enable diverse applications, from CNS drug development to enzyme inhibition. As the demand for innovative therapeutics grows, this compound is poised to remain at the forefront of scientific exploration. Future advancements in synthetic methodologies and target-specific modifications will likely further elevate its significance in the field.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:117565-57-8)1-BOC-3-ETHYL-PIPERIDIN-4-ONE
sfd12903
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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