4-Fluoro-PVP

The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

O
N

F
CH3

1. GENERAL INFORMATION

IUPAC Name: 1-(4-fluorophenyl)-2-(pyrrolidin-1-yl)pentan-1-one

CAS#: 850352-31-7

Synonyms: 4-Fluoro-α-PVP, 4-fluoro-α-2-(1-pyrrolidinyl)-valerophenone,

4-fluoro-α-pyrrolidionpentiophenone

Source: 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

Latest Revision: 03/04/2015 SWGDRUG.org/monographs.htm Page 1 of 5

 4-Fluoro-PVP
The 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 maleic
acid as quantitative internal standard.

Instrument: 400 MHz NMR spectrometer

Parameters: Spectral width: at least containing -3 ppm through 13 ppm
Pulse angle: 90o
Delay between pulses: 45 seconds
1
H NMR: 4-Fluoro-PVP HCl, Lot 0453912-14, D 2O 400MHz
Maleic Acid D2O

10

5
TSP
4

0
2 2 1 2 1 1 6 2 3

8 7 6 5 4 3 2 1 0

2 2 1 2 1 1 6 2 3

8.125 7.350 3.75 3.50 3.25 2.2 2.1 2.0 1.3 1.2 1.1 0.850
Latest Revision: 03/04/2015 SWGDRUG.org/monographs.htm Page 2 of 5
 4-Fluoro-PVP
The 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 detector

Column: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µm
Carrier Gas: Helium at 1 mL/min
Temperatures: Injector: 280oC
MSD transfer line: 280oC
MS Source: 230 oC
MS Quad: 150oC
Oven program:
1) 100oC initial temperature for 1.0 min
2) Ramp to 300 oC at 12 oC/min
3) Hold final temperature for 9.0 min
Injection Parameters: Split Ratio = 20:1, 1 µL injected
MS Parameters: Mass scan range: 30-550 amu
Threshold: 100
Tune file: stune.u
Acquisition mode: scan
Retention Time: 8.837 min
EI Mass Spectrum: 4-Fluoro-PVP HCl, Lot 0453912-14
126
Intensity [x 10 ]
6

0.5
95
55
42

84

109

206
69
75

133

164

178
186

232

248

40 60 80 100 120 140 160 180 200 220 240 m/z

109

126
Intensity [x 10 ]
4

42

55

69
75
84

95

206
133

178
164

186

248
232

Latest Revision: 03/04/2015 SWGDRUG.org/monographs.htm Page 3 of 5

 4-Fluoro-PVP
The 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: 32
Resolution: 4 cm-1
Sample gain: 8
Aperture: 150
FTIR ATR (Diamond, 1 Bounce): 4-Fluoro-PVP HCl, Lot 0453912-14
%Transmittance

2879
2922

2519
2966

2465

779
1504

507
1286 1340

741
70

1389

953
1443

1107 1136

841
812
1007
60

1165

544
590
50

577
1593

876
40
1682

1230
30

3500 3000 2500 2000 1500 Wavenumber (cm-1)

%Transmittance

696
779
1504

507
1286

1076

741
976

70
1389

953
1443

1107
1340

841
812
1007

60
420
1136

544
1165

590

50
577
1593

876

40
1682

1230

30

1700 1600 1500 1400 1300 1200 1100 1000 900 800 700 Wavenumber (cm-1)
Latest Revision: 03/04/2015 SWGDRUG.org/monographs.htm Page 4 of 5
 4-Fluoro-PVP
The 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

Latest Revision: 03/04/2015 SWGDRUG.org/monographs.htm Page 5 of 5