Benzyl (1-cyano-1-methylethyl)carbamate
CAS No.:
100134-82-5
M. Wt:
218.25200
M. Fa:
C12H14N2O2
InChI Key:
DJQKBMUYZUEUBU-UHFFFAOYSA-N
Names and Identifiers of Benzyl (1-cyano-1-methylethyl)carbamate
CAS Number |
100134-82-5 |
|---|---|
EC Number |
600-032-0 |
MDL Number |
MFCD10698635 |
IUPAC Name |
benzyl N-(2-cyanopropan-2-yl)carbamate |
InChI |
InChI=1S/C12H14N2O2/c1-12(2,9-13)14-11(15)16-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15) |
InChIKey |
DJQKBMUYZUEUBU-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)(C#N)NC(=O)OCC1=CC=CC=C1 |
UNSPSC Code |
12352100 |
Physical and chemical properties of Benzyl (1-cyano-1-methylethyl)carbamate
Acidity coefficient |
9.59±0.46(Predicted) |
|---|---|
Boiling Point |
381.6ºC at 760 mmHg |
Density |
1.124 g/cm3 |
Exact Mass |
218.10600 |
Flash Point |
184.6ºC |
Index of Refraction |
1.526 |
LogP |
2.60588 |
Melting Point |
97 °C |
Molecular Formula |
C12H14N2O2 |
Molecular Weight |
218.25200 |
PSA |
62.12000 |
Solubility |
Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
Storage condition |
2-8°C |
Water Solubility |
70g/L |
Safety Information of Benzyl (1-cyano-1-methylethyl)carbamate
Applications of Benzyl (1-cyano-1-methylethyl)carbamate
Benzyl (1-cyano-1-methylethyl)carbamate finds applications in several areas:
- Organic Synthesis: It serves as a reagent for synthesizing other organic compounds, particularly in creating carbamates and related derivatives.
- Pharmaceuticals: The compound's biological activity makes it a candidate for developing new drugs or agrochemicals.
- Polymer Chemistry: It can act as a catalyst in polymerization processes, contributing to the formation of various polymeric materials .
Interaction Studies of Benzyl (1-cyano-1-methylethyl)carbamate
Interaction studies involving Benzyl (1-cyano-1-methylethyl)carbamate focus on its reactivity with biological molecules and other chemical species. These studies aim to elucidate:
- Mechanisms of Action: Understanding how the compound interacts with enzymes or receptors can provide insights into its biological effects.
- Synergistic Effects: Investigating its interactions with other compounds may reveal enhanced efficacy or novel properties that could be harnessed in applications.
Biological Activity of Benzyl (1-cyano-1-methylethyl)carbamate
Research indicates that Benzyl (1-cyano-1-methylethyl)carbamate exhibits various biological activities. It has been studied for its potential as an insecticide and herbicide due to its ability to interfere with biochemical pathways in pests. Additionally, some studies suggest that it may possess antimicrobial properties, although further research is needed to fully understand its efficacy and mechanisms of action.
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