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CAS 1818885-54-9

:

4-[(trans-3-Amino-2,2,4,4-tetramethylcyclobutyl)oxy]-2-chlorobenzonitrile

Description:
4-[(trans-3-Amino-2,2,4,4-tetramethylcyclobutyl)oxy]-2-chlorobenzonitrile, identified by its CAS number 1818885-54-9, is a chemical compound characterized by its unique structural features. It contains a chlorobenzonitrile moiety, which contributes to its aromatic properties and potential reactivity. The presence of the trans-3-amino-2,2,4,4-tetramethylcyclobutyl group introduces steric bulk and may influence the compound's solubility and interaction with biological targets. This compound is likely to exhibit polar characteristics due to the amino and nitrile functional groups, which can engage in hydrogen bonding and dipole-dipole interactions. Its structural complexity suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where such compounds may serve as intermediates or active pharmaceutical ingredients. Additionally, the chlorinated aromatic ring may enhance lipophilicity, affecting the compound's bioavailability and pharmacokinetics. Overall, the unique combination of functional groups and structural features makes this compound of interest for further research and application in various chemical and biological contexts.
Formula:C15H19ClN2O
InChI:InChI=1/C15H19ClN2O/c1-14(2)12(18)15(3,4)13(14)19-10-6-5-9(8-17)11(16)7-10/h5-7,12-13H,18H2,1-4H3/t12-,13-
InChI key:InChIKey=ZMQAQKRIAFCCDB-JOCQHMNTNA-N
SMILES:O([C@@H]1C(C)(C)[C@@H](N)C1(C)C)C2=CC(Cl)=C(C#N)C=C2
Synonyms:
  • Benzonitrile, 4-[(trans-3-amino-2,2,4,4-tetramethylcyclobutyl)oxy]-2-chloro-
  • 4-[(trans-3-Amino-2,2,4,4-tetramethylcyclobutyl)oxy]-2-chlorobenzonitrile
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