110977-16-7

Basic information

• Product Name: (1SR,2SR,4SR)-4-tert-butyl-1-methyl-2-phenylthiocyclohexanol
• Synonyms: (1SR,2SR,4SR)-4-tert-butyl-1-methyl-2-phenylthiocyclohexanol
• CAS NO: 110977-16-7
• Molecular Weight: 278.459
• Mol File: 110977-16-7.mol

Chemical Properties

• CAS DataBase Reference: (1SR,2SR,4SR)-4-tert-butyl-1-methyl-2-phenylthiocyclohexanol(CAS DataBase Reference)
• NIST Chemistry Reference: (1SR,2SR,4SR)-4-tert-butyl-1-methyl-2-phenylthiocyclohexanol(110977-16-7)
• EPA Substance Registry System: (1SR,2SR,4SR)-4-tert-butyl-1-methyl-2-phenylthiocyclohexanol(110977-16-7)

Safety Data

• Hazardous Substances Data: 110977-16-7(Hazardous Substances Data)

Upstream product

• 3419-74-7 4-tert-Butyl-1-methylcyclohex-1-en 
• 81176-58-1 4-tert-butyl-1,2-epoxy-1-methyl-cyclohexane 
• 108-98-5 thiophenol 
• 931-59-9 benzenesulfenyl chloride 

Downstream Products

• 110977-17-8 anti-4-tert-butyl-1-methyl-6-phenylthiocyclohex-1-ene 

Relevant articles and documents

ALKYL MIGRATION INCLUDING RING CONTRACTION FROM A MIGRATION ORIGIN BEARING A PHENYLTHIO (PhS) GROUP

Alkyl shifts occur from tertary C atoms bearing a PhS group if PhS migration is prevented, but are retarded by the PhS group: the transition state has a cation-like migration terminus with little, if any, alkyl participation.

Alkyl Migration in Competition with Phenylthio Migration in the Acid-catalysed Rearrangement of Alcohols

Sulfonate derivatives of conformationally rigid syn-2-phenylthiocyclohexanols, which are prevented from phenylthio migration by stereochemistry, rearrange slowly by alkyl migration or ring contraction.In contrast to other electronegative groups, phenylthio slows the reaction down but allows migration of other groups.