61819-35-0

Basic information

• Product Name: (3aR,4R,8S,8aS)-2,2-dimethylhexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol
• CAS NO: 61819-35-0
• Molecular Weight: 220.29
• Mol File: 61819-35-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (3aR,4R,8S,8aS)-2,2-dimethylhexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol(CAS DataBase Reference)
• NIST Chemistry Reference: (3aR,4R,8S,8aS)-2,2-dimethylhexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol(61819-35-0)
• EPA Substance Registry System: (3aR,4R,8S,8aS)-2,2-dimethylhexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol(61819-35-0)

Safety Data

• Hazardous Substances Data: 61819-35-0(Hazardous Substances Data)

Upstream product

• 132014-09-6 2,2-dimethyl-4,5-di(2-oxiranyl)-1,3-dioxolane 

Downstream Products

• 266682-64-8 (-)-1,6-dideoxy-2,5-di-O-benzyl-3,4-O-isopropylidene-1,6-thio-D-sorbitol 
• 266682-67-1 (-)-1,6-dideoxy-2,5-di-O-benzyl-3,4-O-isopropylidene-1,6-thio-D-sorbitol-S,S-dioxide 
• 266682-70-6 (1S,2R,3R,4R)-(-)-1,4-di-O-benzyl-2,3-O-isopropylidenecyclohex-5-ene-1,2,3,4-tetrol 

Relevant articles and documents

Synthesis, chromatographic separation, vibrational circular dichroism spectroscopy, and ab initio DFT studies of chiral thiepane tetraol derivatives

(Chemical Equation Presented) Optically pure enantiomers of the chiral tetrahydroxythiepane derivative 3,6-dihydroxy-4,5-O-isopropylidene-thiepane (3) are obtained using a novel protocol in which a library of all possible stereoisomers of 3 is synthesized, followed by two-step stereoselective chromatography, using, first, conventional achiral and, then, chiral stationary phases. Configurational and conformational analysis of 3 are carried out using Vibrational Circular Dichroism (VCD) spectroscopy in conjunction with ab initio DFT calculations. The absolute configuration of 3 is shown to be 3R,4S,5R,6R-(+)/3S,4R,5S,6S-(-).