322-30-5

Basic information

• Product Name: 1-Propanone, 2-amino-1-(4-fluorophenyl)-, hydrochloride
• CAS NO: 322-30-5
• Molecular Formula: C9H10FNO.ClH
• Molecular Weight: 203.644
• Mol File: 322-30-5.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1-Propanone, 2-amino-1-(4-fluorophenyl)-, hydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Propanone, 2-amino-1-(4-fluorophenyl)-, hydrochloride(322-30-5)
• EPA Substance Registry System: 1-Propanone, 2-amino-1-(4-fluorophenyl)-, hydrochloride(322-30-5)

Safety Data

• Hazardous Substances Data: 322-30-5(Hazardous Substances Data)

Upstream product

• 462-06-6 fluorobenzene 
• 345-94-8 2-bromo-1-(4-fluorophenyl)propan-1-one 
• 456-03-1 1-(4-fluorophenyl)propan-1-one 

Downstream Products

• 188557-35-9 4-(4-Fluoro-phenyl)-2-isopropyl-5-methyl-1H-pyrrole-3-carboxylic acid ethyl ester 
• 322-28-1 N-(1-(4-fluorophenyl)-1-oxopropan-2-yl)acetamide 
• 211242-55-6 1-(4-fluorophenyl)-2-N-tritylamino-1-propanone 
• 148966-79-4 (3R,5S)-7-[4-(4-fluorophenyl)-2-isopropyl-1-(methanesulfonyl)-5-methyl-1H-pyrrol-3-yl]-3,5-dihydroxy-6-heptenoic acid methyl ester 
• 188557-38-2 (E)-(R)-7-[4-(4-Fluoro-phenyl)-2-isopropyl-1-methanesulfonyl-5-methyl-1H-pyrrol-3-yl]-3-hydroxy-5-oxo-hept-6-enoic acid methyl ester 
• 188557-36-0 4-(4-Fluoro-phenyl)-2-isopropyl-1-methanesulfonyl-5-methyl-1H-pyrrole-3-carboxylic acid ethyl ester 
• 188557-37-1 [4-(4-Fluoro-phenyl)-2-isopropyl-1-methanesulfonyl-5-methyl-1H-pyrrol-3-yl]-methanol 
• 160204-82-0 (3R)-[(tert-butyldimethylsilyl)oxy]-7-[4-(4-fluorophenyl)-2-isopropyl-1-(methanesulfonyl)-5-methyl-1H-pyrrol-3-yl]-5-oxo-6-heptenoic acid methyl ester 
• 139993-90-1 4-(4-Fluorophenyl)-3-formyl-2-isopropyl-5-methyl-1-methylsulfonylpyrrole 
• 211242-48-7 2-N-tert-butoxycarbonylamino-1-(4-fluorophenyl)-1-propanone 

Relevant articles and documents

Structural spectroscopic study of enantiomerically pure synthetic cathinones and their major metabolites

New psychoactive substances (NPSs) have become a popular alternative to illicit drugs of abuse. However, to determine their metabolic pathways in the human organism, a detailed knowledge of their structure is crucial. Here, we present a comprehensive spectroscopic structural study of synthetic cathinones (clephedrone, flephedrone, and brephedrone) and their major human metabolites, desmethyl derivatives. Chiral high-performance liquid chromatography was utilized to obtain the individual enantiomers of the parent synthetic cathinones and their assumed major metabolites synthesized de novo. The developed chromatographic method made it possible to obtain the target optically pure substances on a multimilligram scale. Electronic and vibrational circular dichroism, combined with infrared and ultraviolet spectroscopy and supported by DFT calculations, were used to determine their absolute configuration and the chiroptical methods to elucidate their molecular structure in detail. Two stable conformers of each substance were found in aqueous solution. Their relative abundances were estimated based on the Boltzmann distribution and the population weighted spectra were obtained. Very good agreement was achieved between the experimental and simulated spectra, enabling the 3D structures of the studied substances to be determined in aqueous solution. This journal is

Convenient Synthesis Route to N.C.A. -Labelled Sympathomimetics Based on Norepinephrine

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