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CS-W001157 4
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4-(tert-Butyl)3-methyl(S)-morpholine-3,4-dicarboxylate

  • CAS No. 215917-98-9

  • Cat. No. CS-0171820
  • Molecule weight245.27
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4-(tert-Butyl)3-methyl(S)-morpholine-3,4-dicarboxylate|CS-0171820

Structure of 215917-98-9

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General Information

  • CAS No. 215917-98-9
  • Cat. No. CS-0171820
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₉NO₅
  • Molecular Weight 245.27
  • Synonym(s) (S)-4-tert-butyl 3-methyl morpholine-3,4-dicarboxylate
  • SMILES CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)OC

Description

This chiral morpholine derivative features a tert-butyl group and a methyl substituent at the 4- and 3-positions, respectively, with the (S)-configuration at the 3-position. The dicarboxylate functionality enables efficient incorporation into synthetic scaffolds, particularly in medicinal chemistry applications requiring stereochemical control. Bench-stable and moisture-tolerant, it serves as a robust building block for complex heterocyclic systems.

Application

4-(tert-Butyl)3-methyl(S)-morpholine-3,4-dicarboxylate serves as a stereochemically defined morpholine scaffold for medicinal chemistry campaigns, enabling direct incorporation into bioactive molecules via standard coupling protocols. The tert-butyl ester group provides bench stability and orthogonal deprotection under mild acidic conditions, while the methyl and carboxylate functionalities offer controlled reactivity for amide formation and further functionalization. Functions as a key building block in the synthesis of heterocyclic APIs and kinase inhibitors.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   65.07
  • LogP   0.7953
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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