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CS-W001157 4
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tert-Butyl (S)-3-cyanomorpholine-4-carboxylate

  • CAS No. 1257856-86-2

  • Cat. No. CS-0103646
  • Purity≥97%
  • MDL No.MFCD17010136

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

tert-Butyl (S)-3-cyanomorpholine-4-carboxylate|CS-0103646

Structure of 1257856-86-2

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General Information

  • CAS No. 1257856-86-2
  • Cat. No. CS-0103646
  • Purity ≥97%
  • MDL No. MFCD17010136
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆N₂O₃
  • Molecular Weight None
  • Synonym(s) (S)-N-Boc-3-cyanomorpholine
  • SMILES O=C(N1[C@@H](C#N)COCC1)OC(C)(C)C

Description

tert-Butyl (S)-3-cyanomorpholine-4-carboxylate features a chiral morpholine core with a cyanide group at the 3-position and a tert-butyl ester at the 4-position. This configuration enables direct incorporation into peptidomimetics and bioactive heterocycles, offering enhanced metabolic stability and favorable solubility profiles under standard bench conditions.

Application

tert-Butyl (S)-3-cyanomorpholine-4-carboxylate serves as a stereochemically defined building block for the synthesis of bioactive heterocycles, enabling efficient access to morpholine-based scaffolds through orthogonal deprotection and functionalization. Its tert-butyl ester group offers enhanced bench stability and facilitates straightforward purification, while the nitrile moiety supports diverse transformations including hydrolysis, reduction, and cyclization—making it a practical choice for medicinal chemistry campaigns requiring modular, enantiopure 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
Precautionary Statements : P261-P280-P304+P340

Quality Control

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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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