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CS-W001157 4
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2,2-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)acetonitrile

  • CAS No. 1251471-84-7

  • Cat. No. CS-0181995
  • Purity≥97%
  • MDL No.None

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

2,2-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)acetonitrile|CS-0181995

Structure of 1251471-84-7

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General Information

  • CAS No. 1251471-84-7
  • Cat. No. CS-0181995
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₅N₃O₂
  • Molecular Weight 291.39
  • Synonym(s) None
  • SMILES CC(C)(C)[C@H]1COC(/C(C#N)=C2N[C@@H](C(C)(C)C)CO\2)=N1

Description

This chiral acetonitrile derivative features two sterically encumbered oxazoline rings that confer exceptional stability and selective coordination. The (S)-configured dihydrooxazolyl groups enable precise stereocontrol in asymmetric synthesis, while the nitrile functionality offers versatile coupling potential. Designed for use in catalytic systems requiring rigid, electron-deficient ligands, this compound streamlines access to enantioselective transformations under standard bench conditions.

Application

2,2-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)acetonitrile serves as a chiral, bench-stable synthon for asymmetric synthesis, enabling the construction of complex heterocyclic scaffolds through controlled C–C and C–N bond formations. Its dual oxazoline functionality provides orthogonal reactivity, facilitates purification via crystallization, and supports functional group tolerance in standard coupling protocols.

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-P271-P280-P302+P352-P405-P501

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Computational Chemistry Data

  • TPSA   66.64
  • LogP   2.59948
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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