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CS-W001157 4
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tert-Butyl 3-cyanomorpholine-4-carboxylate

  • CAS No. 518047-40-0

  • Cat. No. CS-0060966
  • Purity≥98%
  • MDL No.MFCD09863125

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

tert-Butyl 3-cyanomorpholine-4-carboxylate|CS-0060966

Structure of 518047-40-0

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General Information

  • CAS No. 518047-40-0
  • Cat. No. CS-0060966
  • Purity ≥98%
  • MDL No. MFCD09863125
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆N₂O₃
  • Molecular Weight None
  • Synonym(s) N-Boc-3-cyanomorpholine
  • SMILES CC(C)(C)OC(=O)N1CCOCC1C#N

Description

tert-Butyl 3-cyanomorpholine-4-carboxylate features a morpholine core functionalized with a cyano group at C3 and a tert-butyl ester at C4, offering a stable, moisture-tolerant scaffold for medicinal chemistry. The electron-deficient nitrile enhances reactivity in nucleophilic transformations, while the tert-butyl ester enables selective deprotection under mild acidic conditions. This combination facilitates efficient integration into complex molecular architectures.

Application

tert-Butyl 3-cyanomorpholine-4-carboxylate serves as a versatile morpholine-based building block for medicinal chemistry and process development. The cyano group enables subsequent transformations such as amidation, hydrolysis, or nucleophilic addition, while the tert-butyl ester provides stability and ease of removal under mild acidic conditions. Its compatibility with diverse reaction conditions facilitates integration into complex molecule synthesis, particularly in the construction of heterocyclic scaffolds and API intermediates.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   62.56
  • LogP   1.14588
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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