67246-60-0

Basic information

• Product Name: 3-Heptanone, 6-(dimethylamino)-4-(4-methoxyphenyl)-4-phenyl-
• CAS NO: 67246-60-0
• Molecular Formula: C22H29NO2
• Molecular Weight: 339.478
• Mol File: 67246-60-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-Heptanone, 6-(dimethylamino)-4-(4-methoxyphenyl)-4-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Heptanone, 6-(dimethylamino)-4-(4-methoxyphenyl)-4-phenyl-(67246-60-0)
• EPA Substance Registry System: 3-Heptanone, 6-(dimethylamino)-4-(4-methoxyphenyl)-4-phenyl-(67246-60-0)

Safety Data

• Hazardous Substances Data: 67246-60-0(Hazardous Substances Data)

Upstream product

• 611-94-9 4-Methoxybenzophenone 
• 74-96-4 ethyl bromide 
• 104357-17-7 (2S,4S)-4-Dimethylamino-2-(p-methoxyphenyl)-2-phenylpentanenitrile 
• 104357-17-7 (2R,4S)-4-Dimethylamino-2-(p-methoxyphenyl)-3-methyl-2-phenylbutanenitrile 
• 6731-11-9 4-methoxybenzhydryl chloride 
• 4578-79-4 2-(4-methoxyphenyl)-2-phenylacetonitrile 
• 720-44-5 1-(4-methoxyphenyl)-1-phenylmethanol 
• 104357-17-7 4-Dimethylamino-2-(p-methoxyphenyl)-2-phenylpentanenitrile 

Downstream Products

• 41238-35-1 (4R,6S)-p-Hydroxymethadone 
• 41238-35-1 (4S,6S)-p-Hydroxymethadone 
• 41238-35-1 p-Hydroxymethadone 

Relevant articles and documents

p-Hydroxymethadone: Synthesis, Crystal Structure and CD Properties

Alkylation of 2-chloro-N,N-dimethylpropylamine 2 with the lithium salt derived from 2-(p-methoxyphenyl)-2-phenylacetonitrile 1 afforded a mixture of p-methoxymethadone nitrile 3 and p-methoxyisomethadone nitrile 4.The nitriles were separated chromatographically and the amino nitrile 3 was converted subsequently into the diastereoisomeric p-hydroxymethadone 8 hydrochlorides.Careful recrystallization afforded a separation of the (4RS,6RS)- and (4RS,6SR)-p-hydroxymethadone hydrochlorides.Repetition of the synthesis using (R)-2-chloro-N,N-dimethylpropylamine, derived in three steps from (S)-dilactide 9, yielded the (4S,6S)- and (4R,6S)-p-hydroxymethadone hydrochlorides, which were also separated by fractional crystallization.The absolute configuration of the products was verified by X-ray crystallography.The (4R,6S) salt exhibited a more intense Cotton effect than (S)-methadone hydrochloride while the (4S,6S) salt showed a less intense Cotton effect and less fine structure in the λ 260-275 nm range.