4-Fluoro-PVP - SWGDRUG · 4-Fluoro-α-PVP,4-fluoro-α-2-(1-yrrolidinyl)-valerophenone,p...
Transcript of 4-Fluoro-PVP - SWGDRUG · 4-Fluoro-α-PVP,4-fluoro-α-2-(1-yrrolidinyl)-valerophenone,p...
Page 1 of 5SWGDRUG.org/monographs.htmLatest Revision: 03/04/2015
4-Fluoro-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
1. GENERAL INFORMATION
IUPAC Name: 1-(4-fluorophenyl)-2-(pyrrolidin-1-yl)pentan-1-one
CAS#: 850352-31-7
Synonyms:
Source:
4-Fluoro-α-PVP, 4-fluoro-α-2-(1-pyrrolidinyl)-valerophenone,
4-fluoro-α-pyrrolidionpentiophenone
DEA Reference Material Collection
Appearance: White powder
UVmax(nm): Not Determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C15H20FNO 249 Not Determined
HCl C15H20FNO HCl 285 204.4
F
O
N
CH3
Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 03/04/2015
4-Fluoro-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~5 mg/mL inD2O containing TMS for 0 ppm reference and maleicacid as quantitative internal standard.
Instrument: 400 MHz NMR spectrometerParameters: Spectral width: at least containing -3 ppm through 13 ppm
Pulse angle: 90o
Delay between pulses: 45 seconds1H NMR: 4-Fluoro-PVP HCl, Lot 0453912-14, D2O 400MHz
8 7 6 5 4 3 2 1 0
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326112122
Maleic Acid
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D2O
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1.3 1.2 1.1
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0.850
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4-Fluoro-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~3 mg/mL in Methanol.
Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1 mL/minTemperatures: Injector: 280oC
MSD transfer line: 280oCMS Source: 230oCMS Quad: 150oCOven program:
1) 100oC initial temperature for 1.0 min2) Ramp to 300oC at 12 oC/min3) Hold final temperature for 9.0 min
Injection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu
Threshold: 100Tune file: stune.uAcquisition mode: scan
Retention Time: 8.837 minEI Mass Spectrum: 4-Fluoro-PVP HCl, Lot 0453912-14
m/z240220200180160140120100806040
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4-Fluoro-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3.3 INFRARED SPECTROSCOPY (FTIR)
Insrument: FTIR with diamond ATR attachment (1 bounce)Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 8Aperture: 150
FTIR ATR (Diamond, 1 Bounce): 4-Fluoro-PVP HCl, Lot 0453912-14
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
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779779779779779779779779779779779779779779779779779779779779779779
812812812812812812812812812812812812812812812812812812812812812812
841841841841841841841841841841841841841841841841841841841841841841
876876876876876876876876876876876876876876876876876876876876876876
9539539539539539539539539539539539539539539539539539539539539539531007
100710071007100710071007100710071007100710071007100710071007100710071007100710071007
1107110711071107110711071107110711071107110711071107110711071107110711071107110711071107
11361136113611361136113611361136113611361136113611361136113611361136113611361136113611361165116511651165116511651165116511651165116511651165116511651165116511651165116511651165
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2966296629662966296629662966296629662966296629662966296629662966296629662966296629662966
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
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544544544544544544544544544544544544544544544544544544544544544544577
577577577577577577577577577577577577577577577577577577577577577
590590590590590590590590590590590590590590590590590590590590590590
696696696696696696696696696696696696696696696696696696696696696696741
741741741741741741741741741741741741741741741741741741741741741
779779779779779779779779779779779779779779779779779779779779779779
812812812812812812812812812812812812812812812812812812812812812812
841841841841841841841841841841841841841841841841841841841841841841
876876876876876876876876876876876876876876876876876876876876876876
953953953953953953953953953953953953953953953953953953953953953953
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1007100710071007100710071007100710071007100710071007100710071007100710071007100710071007
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Page 5 of 5SWGDRUG.org/monographs.htmLatest Revision: 03/04/2015
4-Fluoro-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
4. ADDITIONAL RESOURCES
No References available as of 03/2015