Post on 11-Mar-2021
4-Bromo-α-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 3/24/2016 Page 1 of 5SWGDRUG.org/monographs.htm
1. GENERAL INFORMATION
IUPAC Name: 1-(4-bromophenyl)-2-(pyrrolidin-1-yl)pentan-1-one
CAS#: NA
Synonyms: 4-Bromo-alpha-PVP
Source: DEA Reference Material Collection
Appearance: Off-white powder (HCl)
UVmax(nm): Not determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
O
N
Br
CH3
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C15H20BrNO 310 Not Determined
HCl C15H20BrNO HCl 346 209.1
4-Bromo-α-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 3/24/2016 Page 2 of 5SWGDRUG.org/monographs.htm
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~12 mg/mL inD2O containing TSP 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 seconds
1HNMR: 4-Bromo-α-PVP HCl; Lot# RM-160316-01; D2O; 400MHz
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0
326112122
7.907.857.80
22
5.250
1
3.75 3.50 3.25
112
2.2 2.1 2.0
6
1.3 1.2 1.1
2
0.825
3
maleic acid HDO
TSP
4-Bromo-α-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 3/24/2016 Page 3 of 5SWGDRUG.org/monographs.htm
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~4 mg/mL in CHCl3 base extracted with NaOH
Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: HP-5 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1.5 mL/minTemperatures: Injector: 280oC MSD transfer line: 280oC MS Source: 230oC MS Quad: 150oC Oven program: 1) 100oC initial temperature for 1.0 min 2) Ramp to 280oC at 12 oC/min 3) Hold final temperature for 9.0 minInjection Parameters: Split Ratio = 25:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 150 Tune file: stune.u Acquisition mode: scanRetention Time: 12.027 min
EI Mass Spectrum: 4-Bromo-α-PVP HCl; Lot# RM-160316-01
m/z300280260240220200180160140120100806040
[x 1
06 ]In
tens
ity
2
4
3939393939393939393939393939393939393939393941414141414141414141414141414141414141414141 42424242424242424242424242424242424242424242
5454545454545454545454545454545454545454545455555555555555555555555555555555555555555555
56565656565656565656565656565656565656565656
686868686868686868686868686868686868686868686969696969696969696969696969696969696969696975757575757575757575757575757575757575757575
7676767676767676767676767676767676767676767684848484848484848484848484848484848484848484
96969696969696969696969696969696969696969696 9797979797979797979797979797979797979797979798989898989898989898989898989898989898989898124124124124124124124124124124124124124124124124124124124124124124
126126126126126126126126126126126126126126126126126126126126126126
127127127127127127127127127127127127127127127127127127127127127127155155155155155155155155155155155155155155155155155155155155155155 157157157157157157157157157157157157157157157157157157157157157157
183183183183183183183183183183183183183183183183183183183183183183 185185185185185185185185185185185185185185185185185185185185185185EI+
m/z300280260240220200180160140120100806040
[x 1
05 ]In
tens
ity
1
2
3
4
39393939393939393939393939393939393939393939
41414141414141414141414141414141414141414141
42424242424242424242424242424242424242424242
54545454545454545454545454545454545454545454
55555555555555555555555555555555555555555555
5656565656565656565656565656565656565656565668686868686868686868686868686868686868686868
696969696969696969696969696969696969696969697575757575757575757575757575757575757575757576767676767676767676767676767676767676767676
8484848484848484848484848484848484848484848496969696969696969696969696969696969696969696
97979797979797979797979797979797979797979797
98989898989898989898989898989898989898989898103103103103103103103103103103103103103103103103103103103103103103104104104104104104104104104104104104104104104104104104104104104104
124124124124124124124124124124124124124124124124124124124124124124
126126126126126126126126126126126126126126126126126126126126126126 127127127127127127127127127127127127127127127127127127127127127127
128128128128128128128128128128128128128128128128128128128128128128129129129129129129129129129129129129129129129129129129129129129129131131131131131131131131131131131131131131131131131131131131131131132132132132132132132132132132132132132132132132132132132132132132
155155155155155155155155155155155155155155155155155155155155155155 157157157157157157157157157157157157157157157157157157157157157157
158158158158158158158158158158158158158158158158158158158158158158
183183183183183183183183183183183183183183183183183183183183183183 185185185185185185185185185185185185185185185185185185185185185185
186186186186186186186186186186186186186186186186186186186186186186 266266266266266266266266266266266266266266266266266266266266266266 268268268268268268268268268268268268268268268268268268268268268268EI+308 310
4-Bromo-α-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 3/24/2016 Page 4 of 5SWGDRUG.org/monographs.htm
Wavenumber (cm-1)4000 3500 3000 2500 2000 1500 1000
%Tr
ansm
ittan
ce
50
55
60
65
70
75 449449449449449449449449449449449449449449449449449449449449449449
469469469469469469469469469469469469469469469469469469469469469469
538538538538538538538538538538538538538538538538538538538538538538
580580580580580580580580580580580580580580580580580580580580580580
622622622622622622622622622622622622622622622622622622622622622622
730730730730730730730730730730730730730730730730730730730730730730
749749749749749749749749749749749749749749749749749749749749749749
809809809809809809809809809809809809809809809809809809809809809809
840840840840840840840840840840840840840840840840840840840840840840
866866866866866866866866866866866866866866866866866866866866866866
895895895895895895895895895895895895895895895895895895895895895895
951951951951951951951951951951951951951951951951951951951951951951
10031003100310031003100310031003100310031003100310031003100310031003100310031003100310031068
106810681068106810681068106810681068106810681068106810681068106810681068106810681068
1135113511351135113511351135113511351135113511351135113511351135113511351135113511351135
1183118311831183118311831183118311831183118311831183118311831183118311831183118311831183
1228122812281228122812281228122812281228122812281228122812281228122812281228122812281228
133813381338133813381338133813381338133813381338133813381338133813381338133813381338133813911391139113911391139113911391139113911391139113911391139113911391139113911391139113911441
144114411441144114411441144114411441144114411441144114411441144114411441144114411441
1487148714871487148714871487148714871487148714871487148714871487148714871487148714871487
1579157915791579157915791579157915791579157915791579157915791579157915791579157915791579
1682168216821682168216821682168216821682168216821682168216821682168216821682168216821682
28722872287228722872287228722872287228722872287228722872287228722872287228722872287228722965
296529652965296529652965296529652965296529652965296529652965296529652965296529652965
Wavenumber (cm-1)1760 1680 1600 1520 1440 1360 1280 1200 1120 1040 960 880 800 720 640
%Tr
ansm
ittan
ce
50
55
60
65
70
75 449449449449449449449449449449449449449449449449449449449449449449
469469469469469469469469469469469469469469469469469469469469469469
508508508508508508508508508508508508508508508508508508508508508508
538538538538538538538538538538538538538538538538538538538538538538
580580580580580580580580580580580580580580580580580580580580580580
622622622622622622622622622622622622622622622622622622622622622622
678678678678678678678678678678678678678678678678678678678678678678700700700700700700700700700700700700700700700700700700700700700700
730730730730730730730730730730730730730730730730730730730730730730
749749749749749749749749749749749749749749749749749749749749749749
784784784784784784784784784784784784784784784784784784784784784784809809809809809809809809809809809809809809809809809809809809809809
840840840840840840840840840840840840840840840840840840840840840840
866866866866866866866866866866866866866866866866866866866866866866
895895895895895895895895895895895895895895895895895895895895895895914914914914914914914914914914914914914914914914914914914914914914
951951951951951951951951951951951951951951951951951951951951951951
974974974974974974974974974974974974974974974974974974974974974974
1003100310031003100310031003100310031003100310031003100310031003100310031003100310031003
1039103910391039103910391039103910391039103910391039103910391039103910391039103910391039
1068106810681068106810681068106810681068106810681068106810681068106810681068106810681068
1105110511051105110511051105110511051105110511051105110511051105110511051105110511051105
1135113511351135113511351135113511351135113511351135113511351135113511351135113511351135
1183118311831183118311831183118311831183118311831183118311831183118311831183118311831183
1228122812281228122812281228122812281228122812281228122812281228122812281228122812281228
1282128212821282128212821282128212821282128212821282128212821282128212821282128212821282
1338133813381338133813381338133813381338133813381338133813381338133813381338133813381338
1391139113911391139113911391139113911391139113911391139113911391139113911391139113911391
1441144114411441144114411441144114411441144114411441144114411441144114411441144114411441
1487148714871487148714871487148714871487148714871487148714871487148714871487148714871487
1579157915791579157915791579157915791579157915791579157915791579157915791579157915791579
1682168216821682168216821682168216821682168216821682168216821682168216821682168216821682
3.3 INFRARED SPECTROSCOPY (FTIR)
Instrument: FTIR with diamond ATR attachment (1 bounce)Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 1Aperture: 150
FTIR ATR (Diamond 1 Bounce): 4-Bromo-α-PVP HCl; Lot# RM-160316-01
4-Bromo-α-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 3/24/2016 Page 5 of 5SWGDRUG.org/monographs.htm
4. ADDITIONAL RESOURCES
No additional resources as of 03/2016