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CAS 1246213-27-3

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5-(1,1-Dimethylethyl)-α,α-dimethyl-2-(phenylmethoxy)benzeneacetonitrile

Description:
5-(1,1-Dimethylethyl)-α,α-dimethyl-2-(phenylmethoxy)benzeneacetonitrile, identified by its CAS number 1246213-27-3, is a synthetic organic compound characterized by its complex structure, which includes a nitrile functional group and multiple aromatic rings. This compound features a tert-butyl group, contributing to its hydrophobic nature, and a phenylmethoxy substituent that enhances its potential for interactions in various chemical environments. The presence of the nitrile group suggests potential applications in organic synthesis and as a building block in pharmaceuticals or agrochemicals. Its molecular structure may impart specific physical properties such as solubility in organic solvents and stability under certain conditions. Additionally, the compound's unique arrangement of substituents may influence its reactivity and interaction with biological systems, making it of interest in medicinal chemistry. However, detailed studies on its toxicity, environmental impact, and specific applications would be necessary to fully understand its characteristics and potential uses.
Formula:C21H25NO
InChI:InChI=1S/C21H25NO/c1-20(2,3)17-11-12-19(18(13-17)21(4,5)15-22)23-14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3
InChI key:InChIKey=OQNXXSOKIYYHPZ-UHFFFAOYSA-N
SMILES:C(C#N)(C)(C)C1=C(OCC2=CC=CC=C2)C=CC(C(C)(C)C)=C1
Synonyms:
  • 2-(5-tert-Butyl-2-phenylmethoxyphenyl)-2-methylpropanenitrile
  • 5-(1,1-Dimethylethyl)-α,α-dimethyl-2-(phenylmethoxy)benzeneacetonitrile
  • Benzeneacetonitrile, 5-(1,1-dimethylethyl)-α,α-dimethyl-2-(phenylmethoxy)-
  • 2-(2-(Benzyloxy)-5-tert-butylphenyl)-2-methylpropanenitrile
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