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CAS 1417551-40-6

:

1,1-Dimethylethyl N-(4-ethynylbicyclo[2.2.2]oct-1-yl)carbamate

Description:
1,1-Dimethylethyl N-(4-ethynylbicyclo[2.2.2]oct-1-yl)carbamate, identified by its CAS number 1417551-40-6, is a chemical compound that features a carbamate functional group, which is characterized by the presence of a carbonyl group (C=O) bonded to a nitrogen atom (N) that is also connected to an alkyl or aryl group. This specific compound includes a bicyclic structure, which contributes to its unique steric and electronic properties. The presence of the ethynyl group indicates that it has a triple bond, adding to its reactivity and potential applications in organic synthesis. The dimethyl substituents on the nitrogen suggest steric hindrance, which may influence its interaction with biological targets or other chemical species. Overall, this compound may exhibit interesting properties such as solubility, stability, and reactivity, making it of interest in fields such as medicinal chemistry or materials science. However, specific characteristics such as melting point, boiling point, and solubility would require empirical data for precise information.
Formula:C15H23NO2
InChI:InChI=1S/C15H23NO2/c1-5-14-6-9-15(10-7-14,11-8-14)16-12(17)18-13(2,3)4/h1H,6-11H2,2-4H3,(H,16,17)
InChI key:InChIKey=MRDQUTGLADPWES-UHFFFAOYSA-N
SMILES:N(C(OC(C)(C)C)=O)C12CCC(C#C)(CC1)CC2
Synonyms:
  • tert-Butyl [4-Ethynylbicyclo[2.2.2]octan-1-yl]carbamate
  • Carbamic acid, N-(4-ethynylbicyclo[2.2.2]oct-1-yl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-(4-ethynylbicyclo[2.2.2]oct-1-yl)carbamate
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