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tert-Butyl 3-(nitromethylidene)azetidine-1-carboxylate

  • CAS No. 1379812-12-0

  • Cat. No. CS-0048360
  • Molecule weight214.22
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 3-(nitromethylidene)azetidine-1-carboxylate|CS-0048360

Structure of 1379812-12-0

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General Information

  • CAS No. 1379812-12-0
  • Cat. No. CS-0048360
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄N₂O₄
  • Molecular Weight 214.22
  • Synonym(s) tert-Butyl 3-(nitromethylene)azetidine-1-carboxylate
  • SMILES CC(C)(C)OC(=O)N1CC(C1)=C[N+]([O-])=O

Description

tert-Butyl 3-(nitromethylidene)azetidine-1-carboxylate features a strained azetidine ring bearing a nitromethylidene group, delivering high reactivity for cycloaddition and functionalization. This bench-stable, moisture-tolerant building block integrates efficiently into complex heterocycles and enables rapid access to nitrogen-rich scaffolds under mild conditions.

Application

tert-Butyl 3-(nitromethylidene)azetidine-1-carboxylate serves as a versatile building block for the synthesis of azetidine-containing scaffolds, enabling efficient access to nitrogen heterocycles via nitro group reduction and subsequent functionalization. Its stability under standard reaction conditions, combined with tolerance for diverse transformations, facilitates straightforward incorporation into medicinal chemistry campaigns. The protected azetidine core supports modular derivatization and is compatible with common coupling and cyclization protocols.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   72.68
  • LogP   1.3977
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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