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2-(Trimethylsilyl)ethyl 3-nitro-1H-1,2,4-triazole-1-carboxylate

  • CAS No. 1001067-09-9

  • Cat. No. CS-0131106
  • Molecule weight258.31
  • Purity≥95%
  • MDL No.MFCD11042686

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

2-(Trimethylsilyl)ethyl 3-nitro-1H-1,2,4-triazole-1-carboxylate|CS-0131106

Structure of 1001067-09-9

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General Information

  • CAS No. 1001067-09-9
  • Cat. No. CS-0131106
  • Purity ≥95%
  • MDL No. MFCD11042686
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄N₄O₄Si
  • Molecular Weight 258.31
  • Synonym(s) 3-Nitro-1H-1,2,4-triazole-1-carboxylic Acid 2-(Trimethylsilyl)ethyl Ester
  • SMILES O=C(N1N=C([N+]([O-])=O)N=C1)OCC[Si](C)(C)C

Description

This boronate ester features a 3-nitro-1H-1,2,4-triazole-1-carboxylate moiety linked via a trimethylsilyl-protected ethylene spacer. The silyl group enhances stability and facilitates selective deprotection under mild conditions. The electron-deficient triazole enables efficient coupling in transition-metal-catalyzed transformations. This reagent streamlines access to functionalized triazoles in synthetic workflows.

Synthesis

  • Route1

    References

    • Shimizu, Mamoru; Sodeoka, Mikiko Heterocycles, 2008 , vol. 76, # 2 p. 1301 - 1312

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-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   100.15
  • LogP   1.5092
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   4

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