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Oxetane-3-carbonitrile

  • CAS No. 1420800-16-3

  • Cat. No. CS-0043332
  • Purity≥97%
  • MDL No.MFCD21848216

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

Oxetane-3-carbonitrile|CS-0043332

Structure of 1420800-16-3

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General Information

  • CAS No. 1420800-16-3
  • Cat. No. CS-0043332
  • Purity ≥97%
  • MDL No. MFCD21848216
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅NO
  • Molecular Weight 83.09
  • Synonym(s) 3-Oxetanecarbonitrile
  • SMILES N#CC1COC1

Description

Oxetane-3-carbonitrile is a strained, four-membered cyclic ether bearing a nitrile group at the 3-position. This combination imparts high reactivity in ring-opening processes while maintaining bench-stable handling characteristics. The electron-withdrawing nitrile enhances electrophilicity, enabling efficient coupling in bioconjugation and polymer synthesis under mild conditions.

Application

Oxetane-3-carbonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through ring-opening reactions. Its strained oxetane core facilitates nucleophilic attack, while the nitrile group provides a handle for downstream functionalization. The compound exhibits good bench stability and compatibility with common reaction conditions, simplifying purification and integration into multi-step syntheses.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   0.15638
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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