112698-16-5

Basic information

• Product Name: 3-Cyclohexene-1-carboxaldehyde, 3-acetyl- (9CI)
• Synonyms: 3-Cyclohexene-1-carboxaldehyde, 3-acetyl- (9CI)
• CAS NO: 112698-16-5
• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.19038
• Product Categories: ACETYLGROUP
• Mol File: 112698-16-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 264.9±40.0 °C(Predicted)
• Appearance: /
• Density: 1.122±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 3-Cyclohexene-1-carboxaldehyde, 3-acetyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Cyclohexene-1-carboxaldehyde, 3-acetyl- (9CI)(112698-16-5)
• EPA Substance Registry System: 3-Cyclohexene-1-carboxaldehyde, 3-acetyl- (9CI)(112698-16-5)

Safety Data

• Hazardous Substances Data: 112698-16-5(Hazardous Substances Data)

Upstream product

• 112698-08-5 4-(2,6-dimethoxytetrahydropyran-3-yl)butan-2-one 

Relevant articles and documents

2-Alkoxy-3-oxoalkyl-tetrahydropyrans and -tetrahydrofurans: versatile intermediates in heterocyclic synthesis

A new Lewis acid-catalysed Michael-type addition of heterocyclic enol ethers to hemiacetal vinylogues 1 or to enones in the presence of a hydroxylic compounds is described.The 1,5-keto acetal 3 so obtained have been studied with a view to synthetic applications.Acidic hydrolysis of compound 3 leads in most cases to annulation products 9 in a stereocontrolled manner.Organometallic addition, hydride reduction or reductive amination of 1,5-keto acetals 3 afford, in good yields, the hydroxy acetals 12 (and cyclisation products 13) and amino acetals 18, respectively.Acidic treatment of these compounds gave access to oxa- and aza-annulation products 13, 17 and 19 by an efficient kinetically controlled heterocyclisation process.These products can be obtained with high cis-junction selectivities as established by NMR spectroscopy and confirmed by equilibration studies.