41238-35-1

Basic information

• Product Name: para-Hydroxymethadone
• Synonyms: para-Hydroxymethadone;6-dimethylamino-4-(4-hydroxyphenyl)-4-phenylheptan-3-one
• CAS NO: 41238-35-1
• Molecular Formula: C₂₁H₂₇NO₂
• Molecular Weight: 0
• Mol File: 41238-35-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 471.3°C at 760 mmHg
• Flash Point: 238.9°C
• Appearance: /
• Density: 1.067g/cm³
• Vapor Pressure: 1.66E-09mmHg at 25°C
• Refractive Index: 1.554
• CAS DataBase Reference: para-Hydroxymethadone(CAS DataBase Reference)
• NIST Chemistry Reference: para-Hydroxymethadone(41238-35-1)
• EPA Substance Registry System: para-Hydroxymethadone(41238-35-1)

Safety Data

• Hazardous Substances Data: 41238-35-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C21H27NO2/c1-5-20(24)21(15-16(2)22(3)4,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,16,23H,5,15H2,1-4H3

Upstream product

• 67246-60-0 p-Methoxymethadone 
• 611-94-9 4-Methoxybenzophenone 
• 720-44-5 1-(4-methoxyphenyl)-1-phenylmethanol 
• 4578-79-4 2-(4-methoxyphenyl)-2-phenylacetonitrile 
• 6731-11-9 4-methoxybenzhydryl chloride 
• 104357-17-7 4-Dimethylamino-2-(p-methoxyphenyl)-2-phenylpentanenitrile 
• 67246-60-0 (4R,6S)-p-Methoxymethadone 
• 67246-60-0 (4S,6S)-p-Methoxymethadone 
• 104357-17-7 (2S,4S)-4-Dimethylamino-2-(p-methoxyphenyl)-2-phenylpentanenitrile 

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.