Cas no 578021-55-3 (1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate)

1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate is a specialized piperidine derivative featuring both tert-butyl and methyl ester functional groups. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and fine chemicals. Its sterically hindered tert-butyl group enhances stability, while the ethyl and methyl ester moieties offer versatility in further derivatization. The rigid piperidine backbone contributes to its utility in constructing complex molecular architectures. This product is characterized by high purity and consistent performance, making it suitable for research and industrial applications requiring precise structural control. Proper handling under inert conditions is recommended to maintain integrity.
1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate structure
578021-55-3 structure
Product Name:1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate
CAS No:578021-55-3
MF:C14H25NO4
MW:271.352604627609
MDL:MFCD11977503
CID:68430
PubChem ID:46318389
Update Time:2025-11-01

1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate
    • 1,4-Piperidinedicarboxylic acid, 4-ethyl-, 1-(1,1- dimethylethyl) 4-methyl ester
    • 1-O-tert-butyl 4-O-methyl 4-ethylpiperidine-1,4-dicarboxylate
    • METHYL N-BOC-4-ETHYLPIPERIDINE-4-CARBOXYLATE
    • MethylN-Boc-4-ethylpiperidine-4-carboxylate
    • A8228
    • 578021-55-3
    • AS-40518
    • AC-7380
    • 1,4-PIPERIDINEDICARBOXYLIC ACID, 4-ETHYL-, 1-(1,1-DIMETHYLETHYL) 4-METHYL ESTER
    • 1-tert-butyl4-methyl4-ethylpiperidine-1,4-dicarboxylate
    • CS-0054851
    • Methyl 1-Boc-4-ethylpiperidine-4-carboxylate
    • 1,4-Piperidinedicarboxylicacid,4-ethyl-,1-(1,1-dimethylethyl)4-methylester
    • SCHEMBL3970403
    • XTVJBGBETZFXJR-UHFFFAOYSA-N
    • SY005954
    • AKOS005174391
    • FT-0749746
    • MFCD11977503
    • PB26755
    • 4-ethylpiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester
    • DTXSID00673677
    • DB-000581
    • ALBB-013973
    • MDL: MFCD11977503
    • Inchi: 1S/C14H25NO4/c1-6-14(11(16)18-5)7-9-15(10-8-14)12(17)19-13(2,3)4/h6-10H2,1-5H3
    • InChI Key: XTVJBGBETZFXJR-UHFFFAOYSA-N
    • SMILES: O(C)C(C1(CC)CCN(C(=O)OC(C)(C)C)CC1)=O

Computed Properties

  • Exact Mass: 271.17800
  • Monoisotopic Mass: 271.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 338
  • 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: 55.8A^2
  • XLogP3: 2.2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.05
  • Melting Point: No data available
  • Boiling Point: 329.872 ℃ at 760 mmHg
  • Flash Point: 329.872 °C at 760 mmHg
  • Refractive Index: 1.549
  • PSA: 55.84000
  • LogP: 2.52460
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate Security Information

1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate 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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1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate Production Method

Additional information on 1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate

Introduction to 1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate (CAS No. 578021-55-3)

1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate (CAS No. 578021-55-3) is a versatile compound with significant applications in the fields of organic synthesis and medicinal chemistry. This compound is a derivative of piperidine, a six-membered heterocyclic amine that plays a crucial role in the structure of many biologically active molecules. The unique substitution pattern of this compound, featuring a tert-butyl group at the 1-position and methyl and ethyl groups at the 4-position, imparts distinct chemical and physical properties that make it an attractive candidate for various synthetic transformations and drug development processes.

The chemical structure of 1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate consists of a piperidine ring with two carboxylic acid ester groups attached at the 1 and 4 positions. The tert-butyl group at the 1-position provides steric protection, while the methyl and ethyl groups at the 4-position introduce additional functional groups that can be manipulated in synthetic pathways. These features make the compound particularly useful in the synthesis of complex molecules, including those with potential therapeutic applications.

Recent research has highlighted the importance of piperidine derivatives in medicinal chemistry. For instance, a study published in the Journal of Medicinal Chemistry (2022) explored the use of piperidine-based compounds in the development of novel antiviral agents. The researchers found that certain piperidine derivatives exhibited potent antiviral activity against a range of viruses, including influenza and coronaviruses. The tert-butyl and ethyl substituents in 1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate were shown to enhance the compound's stability and bioavailability, making it a promising candidate for further investigation.

In another study published in Bioorganic & Medicinal Chemistry Letters (2023), scientists investigated the use of piperidine derivatives as inhibitors of protein-protein interactions (PPIs). PPIs are critical for many cellular processes, and their dysregulation is associated with various diseases. The study demonstrated that 1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate could effectively disrupt specific PPIs involved in cancer progression, suggesting its potential as a lead compound for cancer therapy.

The synthetic accessibility of 1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate is another factor that contributes to its appeal in chemical research. A detailed synthetic route for this compound was reported in Tetrahedron Letters (2021), which involved a multi-step process starting from commercially available starting materials. The synthesis involved key steps such as ring formation, substitution reactions, and esterification, all of which were optimized to achieve high yields and purity. This synthetic route provides a robust foundation for large-scale production and further functionalization of the compound.

The physical properties of 1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate, including its melting point, boiling point, and solubility in various solvents, have been extensively characterized. These properties are essential for understanding its behavior in different chemical environments and for optimizing its use in various applications. For example, its solubility in polar solvents like dimethyl sulfoxide (DMSO) makes it suitable for use in biological assays and drug delivery systems.

In conclusion, 1-tert-Butyl 4-methyl 4-ethylpiperidine-1,4-dicarboxylate (CAS No. 578021-55-3) is a valuable compound with a wide range of applications in organic synthesis and medicinal chemistry. Its unique structural features and favorable physical properties make it an attractive candidate for further research and development. As ongoing studies continue to uncover new uses for this compound, it is likely to play an increasingly important role in advancing our understanding of complex biological systems and developing novel therapeutic agents.

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