197016-07-2

Basic information

• Product Name: (2R,4S)-5-(acetyloxy)-2,4-dimethylpentyl phenyl sulfone
• Synonyms: (2R,4S)-5-(acetyloxy)-2,4-dimethylpentyl phenyl sulfone
• CAS NO: 197016-07-2
• Molecular Weight: 298.403
• Mol File: 197016-07-2.mol

Chemical Properties

• CAS DataBase Reference: (2R,4S)-5-(acetyloxy)-2,4-dimethylpentyl phenyl sulfone(CAS DataBase Reference)
• NIST Chemistry Reference: (2R,4S)-5-(acetyloxy)-2,4-dimethylpentyl phenyl sulfone(197016-07-2)
• EPA Substance Registry System: (2R,4S)-5-(acetyloxy)-2,4-dimethylpentyl phenyl sulfone(197016-07-2)

Safety Data

• Hazardous Substances Data: 197016-07-2(Hazardous Substances Data)

Upstream product

• 90270-02-3 (2R,4S)-1-hydroxy-2,4-dimethylpentyl acetate 
• 873-55-2 sodium benzenesulfonate 
• 197016-06-1 (2S,4R)-5-iodo-2,4-dimethylpentan-1-ol acetate 

Downstream Products

• 545445-73-6 (3S,5R,8R,10S)-6-Acetoxy-7-benzenesulfonyl-11-(tert-butyl-dimethyl-silanyloxy)-3,5,8,10-tetramethyl-undecanoic acid methyl ester 
• 197016-10-7 (3S,5R,8R,10S)-7-Benzenesulfonyl-11-(tert-butyl-dimethyl-silanyloxy)-6-hydroxy-3,5,8,10-tetramethyl-undecanoic acid methyl ester 
• 197016-00-5 (2R,4S)-5-{[(tert-butyl)dimethylsilyl]oxy}-2,4-dimethylpentyl phenyl sulfone 
• 197016-08-3 (2S,4R)-5-phenylsulfonyl-2,4-dimethyl-pentan-1-ol 

Relevant articles and documents

Conformation design of a fully flexible βII-hairpin analogue

Almost congruent with the natural prototype 1, βII-hairpin mimetic 2 was obtained through rational conformation design. The hydrocarbon backbone of 2 provides optimal preorganization of the hydrogen bond, which is decisive for inducing a β-sheet conformation.

Synthesis of a conformationally flexible β-hairpin mimetic

Rational conformation design led us to a synthesis of the ω-amido-undecenamide 4, which was shown by theoretical means (simulated annealing techniques) and by NMR and IR spectroscopy to have a high tendency to populate a conformation corresponding to a natural β-II′-type hairpin, despite possessing a conformationally fully flexible open-chain backbone.