1036760-48-1Relevant articles and documents
Study of syntheses and specific rotations of (S)-3-phenylhexan-3-ol and its derivatives
Liao, Tou-Gen,Ren, Jie,Fan, Hua-Fang,Xie, Ming-Jin,Zhu, Hua-Jie
, p. 808 - 815 (2008/09/21)
Tertiary alcohols, 3-phenylhexan-3-ol and 3-methylhexane-3-ol, and their derivatives were synthesized. The reaction conditions of the esterification of the tertiary alcohol with 2-NO2PhCO2Cl and 4-NO2PhCO2Cl were optimized. The absolute configuration of the derivative from (S)-3-phenylhexan-3-ol was identified by X-ray study and computational methods. Experimental results confirmed the computational specific rotation predictions by DFT-based and matrix methods.