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PRONOUNCED CONFORMATIONAL PREFERENCE OF THE 3′-α-CUMYL SUBSTITUENT IN 2-(2′-METHOXY-3′-α-CUMYLPHENYL)BENZOTRIAZOLE (1997)

Debellis, Anthony D. ; Rodebaugh, Ronald K. ; Suhadolnik, Joseph ; [et al.]

Chichester : Wiley-Blackwell

Journal of Physical Organic Chemistry 10 (1997), S. 107-112

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ISSN: 0894-3230

Keywords: 2-(2′-methoxy-3′-α-cumylphenyl)benzotriazole ; conformational preference ; light stabilizers ; Chemistry ; Theoretical, Physical and Computational Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Physics

Notes: ---A pronounced conformational preference of the 3′-α-cumyl substituent in 2-(2′-methoxy-3′-α-cumylphenyl)benzotriazole is suggested from the results of molecular dynamics simulations. This suggestion is supported by both solution NMR spectral and solid-state x-ray crystallographic data. The orientation of the α-cumyl substituent may have implications on the relative performance of 3′-substituted 2′-hydroxyphenylbenzotriazole light stabilizers in polar media. © 1997 by John Wiley & Sons, Ltd.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

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