Cas no 215917-98-9 (4-tert-butyl 3-methyl (3S)-morpholine-3,4-dicarboxylate)

4-tert-butyl 3-methyl (3S)-morpholine-3,4-dicarboxylate is a chiral morpholine derivative with significant utility in asymmetric synthesis and pharmaceutical intermediates. Its stereospecific (3S) configuration ensures high enantioselectivity, making it valuable for constructing complex molecular architectures. The tert-butyl and methyl ester groups enhance stability while offering selective deprotection or functionalization pathways. This compound is particularly useful in peptidomimetics and bioactive molecule development due to its rigid morpholine scaffold, which can influence conformational properties. Its well-defined stereochemistry and bifunctional carboxylate groups facilitate precise modifications, supporting applications in medicinal chemistry and catalyst design. Suitable for controlled reactions, it provides a reliable building block for researchers requiring high-purity chiral intermediates.
4-tert-butyl 3-methyl (3S)-morpholine-3,4-dicarboxylate structure
215917-98-9 structure
Product Name:4-tert-butyl 3-methyl (3S)-morpholine-3,4-dicarboxylate
CAS No:215917-98-9
MF:C11H19NO5
MW:245.272263765335
MDL:MFCD09756519
CID:822359
PubChem ID:20648541
Update Time:2025-06-07

4-tert-butyl 3-methyl (3S)-morpholine-3,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • (S)-4-tert-Butyl 3-methyl morpholine-3,4-dicarboxylate
    • (R)-MethylN-tert-butoxycarbonylMorpholine-3-carboxylate
    • 3(S)-Methoxycarbonyl-4-t-butoxycarbonylmorpholine
    • (3S)-3,4-Morpholinedicarboxylic acid 4-(1,1-dimethylethyl) 3-methyl ester
    • 4-tert-butyl 3-methyl morpholine-3,4-dicarboxylate
    • METHYL (S)-4-BOC-MORPHOLINE-3-CARBOXYLATE
    • 4-tert-butyl 3-methyl (3S)-morpholine-3,4-dicarboxylate
    • SCHEMBL2737895
    • CS-0171820
    • Methyl (S)-4-Boc-3-Morpholinecarboxylate
    • 215917-98-9
    • 4-O-tert-butyl 3-O-methyl (3S)-morpholine-3,4-dicarboxylate
    • DTXSID40609253
    • KHKJMJAQUGFIHO-QMMMGPOBSA-N
    • (S)-4-tert-Butyl3-methylmorpholine-3,4-dicarboxylate
    • AKOS015851043
    • MFCD09756519
    • AS-30004
    • 4-(tert-Butyl)3-methyl(S)-morpholine-3,4-dicarboxylate
    • MDL： MFCD09756519
    • Inchi： 1S/C11H19NO5/c1-11(2,3)17-10(14)12-5-6-16-7-8(12)9(13)15-4/h8H,5-7H2,1-4H3/t8-/m0/s1
    • InChI Key： KHKJMJAQUGFIHO-QMMMGPOBSA-N
    • SMILES： O1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1

Computed Properties

  • Exact Mass: 245.12600
  • Monoisotopic Mass: 245.12632271g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 297
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 65.1?2

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.149±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (8.1 g/l) (25 o C),
  • PSA: 65.07000
  • LogP: 0.73320

4-tert-butyl 3-methyl (3S)-morpholine-3,4-dicarboxylate Security Information

4-tert-butyl 3-methyl (3S)-morpholine-3,4-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 3-methyl (3S)-morpholine-3,4-dicarboxylate Pricemore >>

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