Cas no 500789-41-3 (4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate)

4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate is a specialized morpholine derivative used as an intermediate in organic synthesis and pharmaceutical applications. Its key advantages include a stable tert-butyl ester group, which enhances solubility and facilitates selective deprotection under mild conditions. The methyl ester moiety offers additional reactivity control, making it suitable for stepwise functionalization. The morpholine core provides structural rigidity, improving stereochemical outcomes in synthetic pathways. This compound is particularly valuable in peptidomimetics and heterocyclic chemistry due to its balanced reactivity and compatibility with a range of reagents. High purity grades ensure consistent performance in complex synthetic workflows.
4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate structure
500789-41-3 structure
Product Name:4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate
CAS No:500789-41-3
MF:C11H19NO5
MW:245.272263765335
MDL:MFCD16877230
CID:858786
PubChem ID:58817474
Update Time:2025-05-24

4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-tert-Butyl 2-methyl morpholine-2,4-dicarboxylate
    • 24-Morpholinedicarboxylic acid 4-(11-diMethylethyl) 2-Methyl ester
    • 4-O-tert-butyl 2-O-methyl morpholine-2,4-dicarboxylate
    • methyl 4-(tert-butoxycarbonyl)morpholine-2-carboxylate
    • 2,4-Morpholinedicarboxylic acid, 4-(1,1-diMethylethyl) 2-Methyl ester
    • 4-(tert-butyl) 2-methyl 2,4-morpholine dicarboxylate
    • RZIYWKZWSSFEFI-UHFFFAOYSA-N
    • Methyl 4-Boc-morpholine-2-carboxylate
    • SB15447
    • AM803963
    • ST24023649
    • 4-(tert-Butyl) 2-methyl 2,4-morpholinedicarboxylate
    • 4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate
    • MDL: MFCD16877230
    • Inchi: 1S/C11H19NO5/c1-11(2,3)17-10(14)12-5-6-16-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3
    • InChI Key: RZIYWKZWSSFEFI-UHFFFAOYSA-N
    • SMILES: O1CCN(C(=O)OC(C)(C)C)CC1C(=O)OC

Computed Properties

  • Exact Mass: 245.12600
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 297
  • Topological Polar Surface Area: 65.099

Experimental Properties

  • Density: 1.149±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (8.3 g/l) (25 o C),
  • PSA: 65.07000
  • LogP: 0.73320

4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate Security Information

4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate 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%

4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate Pricemore >>

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Additional information on 4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate

Professional Introduction to 4-Tert-Butyl 2-methyl morpholine-2,4-dicarboxylate (CAS No. 500789-41-3)

4-Tert-butyl 2-methyl morpholine-2,4-dicarboxylate, identified by its Chemical Abstracts Service (CAS) number 500789-41-3, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound, featuring a unique structural configuration with a morpholine core and ester functionalities, exhibits promising properties that make it a valuable candidate for various applications, particularly in drug development and advanced material synthesis.

The molecular structure of 4-Tert-butyl 2-methyl morpholine-2,4-dicarboxylate consists of a morpholine ring substituted with two carboxylate groups at the 2 and 4 positions, and a tert-butyl group at the 4-position. This arrangement imparts distinct chemical characteristics, including solubility in polar organic solvents and the ability to participate in various organic transformations. The presence of the ester groups enhances its reactivity, making it a versatile intermediate in synthetic chemistry.

In recent years, there has been growing interest in the applications of 4-Tert-butyl 2-methyl morpholine-2,4-dicarboxylate in pharmaceutical research. Its structural features suggest potential utility as a building block for more complex molecules, particularly in the synthesis of bioactive compounds. Studies have shown that derivatives of this compound can exhibit desirable pharmacological properties, such as inhibitory effects on certain enzymes and receptors. For instance, researchers have explored its use in developing novel inhibitors for therapeutic targets related to metabolic disorders and inflammatory conditions.

The compound's unique morphology also makes it an attractive candidate for materials science applications. Its ability to form stable complexes with other molecules has been leveraged in the development of novel polymers and coatings. These materials exhibit enhanced mechanical strength and chemical resistance, making them suitable for use in harsh environments. Additionally, the morpholine ring's chelating properties have been exploited in designing catalysts and ligands for various chemical reactions.

Recent advancements in computational chemistry have further highlighted the potential of 4-Tert-butyl 2-methyl morpholine-2,4-dicarboxylate. Molecular modeling studies have revealed insights into its interaction with biological targets, providing a foundation for rational drug design. These simulations have helped researchers predict the compound's binding affinity and identify key structural modifications that could enhance its efficacy. Such computational approaches are increasingly integral to modern drug discovery processes.

The synthesis of 4-Tert-butyl 2-methyl morpholine-2,4-dicarboxylate presents unique challenges due to its complex structure. However, recent innovations in synthetic methodologies have made it more accessible to researchers. Techniques such as asymmetric catalysis and green chemistry principles have been employed to optimize production processes, ensuring higher yields and reduced environmental impact. These advancements underscore the compound's growing importance in both academic and industrial settings.

The safety profile of 4-Tert-butyl 2-methyl morpholine-2,4-dicarboxylate is another critical consideration. While it is not classified as a hazardous material under current regulations, proper handling procedures must be followed to ensure safe laboratory practices. Researchers are encouraged to adhere to established protocols for storage, handling, and disposal to minimize any potential risks.

In conclusion, 4-Tert-butyl 2-methyl morpholine-2,4-dicarboxylate (CAS No. 500789-41-3) is a multifaceted compound with significant potential in pharmaceuticals and materials science. Its unique structural features enable diverse applications, from drug development to advanced material synthesis. As research continues to uncover new uses for this compound, its importance is expected to grow further. The ongoing development of innovative synthetic methods and computational tools will continue to enhance our ability to utilize this compound effectively.

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