40662-68-8

Basic information

• Product Name: C₁₀H₁₂⁽²⁾H₂O
• CAS NO: 40662-68-8
• Molecular Weight: 152.205
• Mol File: 40662-68-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₀H₁₂⁽²⁾H₂O(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₀H₁₂⁽²⁾H₂O(40662-68-8)
• EPA Substance Registry System: C₁₀H₁₂⁽²⁾H₂O(40662-68-8)

Safety Data

• Hazardous Substances Data: 40662-68-8(Hazardous Substances Data)

Upstream product

• 2282-84-0 methyl 2,4,6-trimethylbenzoate 

Downstream Products

• 170028-99-6 2,4,6-trimethylbenzaldehyde-1-d 

Relevant articles and documents

Computational and experimental structure-reactivity relationships: evidence for a side reaction in Alpine-Borane reductions of d-benzaldehydes

Extraordinary stereoselectivity, approaching 100%, has been reported in the reductions of d-benzaldehydes by B-isopinocampheyl-9-borabicyclo[3.3.1]nonane (Alpine-Borane). This is likely because of the extreme size disparity of groups on either side of the carbonyl. Here, we present a structure-reactivity study whereby the reductions of variably substituted d-benzaldehydes are explored using highly sensitive measures for enantiomeric excess and relative reactivity. These results are compared to the relative rates predicted from density functional calculations. The results indicate that 2,6-disubstitution adversely affects the stereoselectivity by means of a non-selective reduction via the dehydroboration product of Alpine-Borane, 9-borabicyclo[3.3.1]nonane.