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tert-Butyl 3-nitroazetidine-1-carboxylate

  • CAS No. 1445951-55-2

  • Cat. No. CS-0036068
  • Purity≥97%
  • MDL No.MFCD25509427

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

tert-Butyl 3-nitroazetidine-1-carboxylate|CS-0036068

Structure of 1445951-55-2

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General Information

  • CAS No. 1445951-55-2
  • Cat. No. CS-0036068
  • Purity ≥97%
  • MDL No. MFCD25509427
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄N₂O₄
  • Molecular Weight 202.21
  • Synonym(s) Tert-Butyl 3-Nitroazetidine-1-Carboxylate(WX690240)
  • SMILES CC(C)(C)OC(=O)N1CC(C1)[N+](=O)[O-]

Description

tert-Butyl 3-nitroazetidine-1-carboxylate is a bench-stable, moisture-tolerant building block featuring a strained azetidine ring with a nitro group at the 3-position. This electron-deficient heterocycle integrates readily into synthetic sequences, enabling efficient access to bioactive nitrogen-containing scaffolds through selective functionalization and reductive transformations.

Application

tert-Butyl 3-nitroazetidine-1-carboxylate serves as a stable, bench-ready building block for the synthesis of strained azetidine scaffolds. Its nitro group enables subsequent reductive transformations to amino derivatives, while the tert-butyloxycarbonyl (Boc) protection offers excellent functional group tolerance and ease of removal under mild acidic conditions. The molecule facilitates efficient access to bioactive heterocycles in medicinal chemistry campaigns.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   72.68
  • LogP   0.8824
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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