4-tert-Butyl 3-methyl morpholine-3,4-dicarboxylate

Name: 4-tert-Butyl 3-methyl morpholine-3,4-dicarboxylate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 212650-45-8
Cat. No. CS-M0710
Purity≥98%
MDL No.MFCD06656782

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-tert-Butyl 3-methyl morpholine-3,4-dicarboxylate|CS-M0710

Structure of 212650-45-8

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General Information

CAS No. 212650-45-8
Cat. No. CS-M0710
Purity ≥98%
MDL No. MFCD06656782
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₉NO₅
Molecular Weight 245.27
Synonym(s) Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester 3-methyl ester
SMILES O=C(OC(C)(C)C)N1C(COCC1)C(OC)=O

Description

4-tert-Butyl 3-methyl morpholine-3,4-dicarboxylate features a sterically shielded tert-butyl group and a methyl-substituted morpholine core, delivering enhanced stability and solubility in organic media. This scaffold integrates seamlessly into complex molecular architectures, particularly in medicinal chemistry campaigns requiring robust, bench-stable building blocks for diverse heterocyclic synthesis.

Application

4-tert-Butyl 3-methyl morpholine-3,4-dicarboxylate serves as a versatile bicyclic building block for the synthesis of nitrogen-containing heterocycles and bioactive scaffolds. Its tert-butyl and methyl ester groups provide orthogonal reactivity and enhanced bench stability, enabling selective transformations under standard conditions. The molecule functions effectively in coupling reactions, ring-forming processes, and as a chiral auxiliary precursor in medicinal chemistry applications.

Synthesis

Route1
- In-stock
  
  212650-43-6
- 74-88-4
- ~95%
- In-stock
  
  212650-45-8
References
- ASTRAZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2005/80386 A1, 2005 ; Location in patent: Page/Page column 41-42 ; WO 2005/080386 A1
Route2
- In-stock
  
  212650-43-6
- 18107-18-1
- ~98%
- In-stock
  
  212650-45-8
References
- EVOTEC NEUROSCIENCES GMBH Patent: WO2008/125570 A1, 2008 ; Location in patent: Page/Page column 47 ; WO 2008/125570 A1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-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

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Morpholine compounds

Key Words

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4-tert-Butyl 3-methyl morpholine-3,4-dicarboxylate

CAS No. 212650-45-8

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