2-(Trimethylsilyl)ethyl 3-Nitro-1H-1,2,4-triazole-1-carboxylate
CAS No.:
1001067-09-9
M. Wt:
258.30700
M. Fa:
C8H14N4O4Si
InChI Key:
BHTJYIDOVYPNKR-UHFFFAOYSA-N
Appearance:
Yellow Solid
Names and Identifiers of 1001067-09-9
CAS Number |
1001067-09-9 |
|---|---|
MDL Number |
MFCD11042686 |
IUPAC Name |
2-trimethylsilylethyl 3-nitro-1,2,4-triazole-1-carboxylate |
InChI |
InChI=1S/C8H14N4O4Si/c1-17(2,3)5-4-16-8(13)11-6-9-7(10-11)12(14)15/h6H,4-5H2,1-3H3 |
InChIKey |
BHTJYIDOVYPNKR-UHFFFAOYSA-N |
Canonical SMILES |
C[Si](C)(C)CCOC(=O)N1C=NC(=N1)[N+](=O)[O-] |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1001067-09-9
Exact Mass |
258.07800 |
|---|---|
H Bond Acceptors |
5 |
H Bond Donors |
0 |
LogP |
2.03240 |
Molecular Formula |
C8H14N4O4Si |
Molecular Weight |
258.30700 |
PSA |
102.83000 |
Solubility |
Sol organics (CH2Cl2, THF, CH3CN, EtOAc); reacts with amines. |
Storage condition |
-20°C |
Safety Information of 1001067-09-9
Applications of 1001067-09-9
The unique structure of 2-(Trimethylsilyl)ethyl 3-Nitro-1H-1,2,4-triazole-1-carboxylate lends itself to various applications:
- Pharmaceutical Development: Potential use in drug design due to its biological activity.
- Chemical Research: Serves as an intermediate in organic synthesis for creating more complex compounds.
- Agricultural Chemistry: Possible applications in developing agrochemicals or pesticides due to its potential biological effects.
Interaction Studies of 1001067-09-9
Interaction studies involving 2-(Trimethylsilyl)ethyl 3-Nitro-1H-1,2,4-triazole-1-carboxylate focus on its reactivity with other chemical species. For instance, it may interact with nucleophiles during substitution reactions or participate in coupling reactions to form larger molecular frameworks. Additionally, studies examining its interactions with biological targets could reveal insights into its pharmacological potential.
Physical sample testing spectrum (NMR) of 1001067-09-9
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