39121-37-4

Basic information

• Product Name: 3-Heptanone, 5-hydroxy-5-methyl-
• CAS NO: 39121-37-4
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• Mol File: 39121-37-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-Heptanone, 5-hydroxy-5-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Heptanone, 5-hydroxy-5-methyl-(39121-37-4)
• EPA Substance Registry System: 3-Heptanone, 5-hydroxy-5-methyl-(39121-37-4)

Safety Data

• Hazardous Substances Data: 39121-37-4(Hazardous Substances Data)

Upstream product

• 78-93-3 butanone 
• 920-39-8 isopropylmagnesium bromide 

Downstream Products

• 65844-84-0 5-Chloro-3-ethyl-5-methyl-1-phenyl-hept-1-yn-3-ol 
• 541-85-5 5-methyl-3-heptanone 
• 18720-65-5 5-methyl-3-heptanol 
• 1447-26-3 5-methyl-4-hepten-3-one 

Relevant articles and documents

Catalysis by cobalt compounds of aldol and retroaldol reactions

Aldol condensation of acetone, butanone, and 2-pentanone, and retroaldol reaction of neat diacetone alcohol and 3-methyl-3-hydroxyheptan-5-one are catalyzed by (Ph3P)3CoCH3 and (Ph3P)3CoSi(CH3)3.The condensations are reversible and the retroaldol reaction is favoured.Several hindered or cyclic ketones, such as higher homologues, 3-pentanone, methyl isopropyl ketone or cyclohexanone do not condense.By comparison, aliphatic aldehydes react fast and irreversibly to yield products comprised of three aldehyde units. (Ph3P)3CoCH3 also catalyzes protium/deuterium scramblingbetween ketones and acetone-d6.This exchange takes place preferably at the C3 carbon whereas condensation takes place at the C1 carbon.The reactions take place at 20 deg C or below, and of the several organometallic compounds tested only the two mentioned above were found to be active.