91405-15-1

Basic information

• Product Name: Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-1-(1-methylethenyl)-, cis-
• CAS NO: 91405-15-1
• Molecular Formula: C14H24O
• Molecular Weight: 208.344
• Mol File: 91405-15-1.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-1-(1-methylethenyl)-, cis-(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-1-(1-methylethenyl)-, cis-(91405-15-1)
• EPA Substance Registry System: Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-1-(1-methylethenyl)-, cis-(91405-15-1)

Safety Data

• Hazardous Substances Data: 91405-15-1(Hazardous Substances Data)

Upstream product

• 91405-07-1 4β-(tert-butyl)-1α-(1-hydroxy-1-methylethyl)cyclohexanecarbonitrile 
• 111324-95-9 methanesulfonic acid 4-tert-butyl-cyclohexyl ester 
• 31865-37-9 cis/trans-4-tert-Butylcyclohexancarbonitril 
• 98-52-2 4-(1,1-dimethylethyl)-cyclohexanol 
• 91405-02-6 4β-(tert-butyl)-1α-(1-methylvinyl)cyclohexanecarbonitrile 
• 93937-74-7 4β-(tert-butyl)-β-(1-methylvinyl)-1α-cyclohexanecarboxaldehyde 
• 64-19-7 acetic acid 

Downstream Products

• 91405-17-3 2-<4-(tert-butyl)-1-cyclohexenyl>-2-methylpropionaldehyde 
• 93937-74-7 4β-(tert-butyl)-β-(1-methylvinyl)-1α-cyclohexanecarboxaldehyde 
• 91405-18-4 2-(trans-4-(tert-butyl)cyclohexyl)-2-methylpropionaldehyde 
• 91405-03-7 4β-(tert-butyl)-1α-(1-methylvinyl)cyclohexanemethanol 
• 91405-09-3 4-β-(tert-butyl)-1α-isopropyl-cyclohexanemethanol 

Relevant articles and documents

Skeletal Migrations Observed during the Cob(I)alamin-Catalyzed Reduction of 4β-(tert-Butyl)-1β-(1-methylvinyl)cyclohexanecarbaldehyde

During the cob(I)alamin(1(I))-catalyzed reduction of 3, intermediate formation of 2 and final generation of 4-10 was observed (see Scheme 1, cf.Tables 1 and 2).Identical products in similar ratios were generated starting from either 2 or 3.Accepting the intermediate formation of six interconnected cobalt complexes, i.e.A-F (cf.Sceme 2), the generation of all the products observed can be explained.

Oxidative Cyclopropanol Opening by Cob(III)alamin

Starting from the cyclopropanol 2, the isomeric cyclopropanol 4 and th β,γ-unsaturated aldehydes 7 and 8 have been produced by a cobalamin-dependant transformation.In traces, the two acetoxycyclopropanes 3 and 6, the saturated aldehydes 5 and 11 and the β,γ-unsaturated aldehyde 9 could be detected (cf.Structural Formulae and Table).Starting from 4 the same products in a rather similar distribution were obtained.The isomerization 24 as well as the transformations leading to 7, 8, and 9 are shown to be mediated by cob(III)alamin (1(III)).The results are explained on the basis of rearranging Co-complexes.The migrations might driven by the elctrophilic nature of the central Co(d6)-atom.