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4-Chloro- α -PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/6/2016 Page 1 of 5SWGDRUG.org/monographs.htm
1. GENERAL INFORMATION
IUPAC Name: 1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)pentan-1-one
CAS#: NA
Synonyms: 4-chloro-alpha-PVP
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 C15H20ClNO 266 Not Determined
HCl C15H20ClNO HCl 302 207.4
O
N
Cl
CH3
4-Chloro- α -PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/6/2016 Page 2 of 5SWGDRUG.org/monographs.htm
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~12 mg/mL in DMSO-d6 containing TMS for 0 ppm reference and 8drops CD3OD and dimethylfumarate 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-Chloro-α-PVP HCl; Lot# RM-160311-01A; 1 mL DMSO-d6 with 8 drops CD3OD; 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
31161111122
2
7.725
2
5.550
1
3.650
1
3.525
1
3.275
1
3.100
1
2.1 2.0 1.9
6 1
1.05
1
0.800
3
dimethylfumarate
H2O
DMSO
TMS
8.1 1.2
4-Chloro- α -PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/6/2016 Page 3 of 5SWGDRUG.org/monographs.htm
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~4 mg/mL in MeOH
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: 150oCOven program:
1) 100oC initial temperature for 1.0 min2) Ramp to 280oC at 12 oC/min3) Hold final temperature for 9.0 min
Injection 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: 11.208 min
EI Mass Spectrum: 4-Chloro-α-PVP HCl; Lot# RM-160311-01A
m/z300280260240220200180160140120100806040
[x 1
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m/z300280260240220200180160140120100806040
[x10
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393939 3939393939 3939393939 3939393939 39393939414141 4141414141 4141414141 4141414141 41414141
424242 4242424242 4242424242 4242424242 42424242434343 4343434343 4343434343 4343434343 43434343
545454 5454545454 5454545454 5454545454 54545454555555 5555555555 5555555555 5555555555 55555555
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4-Chloro-α-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 4 of 5Latest Revision: 9/6/2016 SWGDRUG.org/monographs.htm
Wavenumber (cm-1)4000 3500 3000 2500 2000 1500 1000
%Tr
ansm
ittan
ce
65
70
75
80
85
482482482482482482482482482482482482482482482482482482482482482482
532532532532532532532532532532532532532532532532532532532532532532
579579579579579579579579579579579579579579579579579579579579579579
625625625625625625625625625625625625625625625625625625625625625625
756756756756756756756756756756756756756756756756756756756756756756
870870870870870870870870870870870870870870870870870870870870870870
1005100510051005100510051005100510051005100510051005100510051005100510051005100510051005
1090109010901090109010901090109010901090109010901090109010901090109010901090109010901090
1138113811381138113811381138113811381138113811381138113811381138113811381138113811381138
1184118411841184118411841184118411841184118411841184118411841184118411841184118411841184
1230123012301230123012301230123012301230123012301230123012301230123012301230123012301230
12861286128612861286128612861286128612861286128612861286128612861286128612861286128612861340
1340134013401340134013401340134013401340134013401340134013401340134013401340134013401443144314431443144314431443144314431443144314431443144314431443144314431443144314431443
1585158515851585158515851585158515851585158515851585158515851585158515851585158515851585
1684168416841684168416841684168416841684168416841684168416841684168416841684168416841684
2469246924692469246924692469246924692469246924692469246924692469246924692469246924692469
2559255925592559255925592559255925592559255925592559255925592559255925592559255925592559
2966296629662966296629662966296629662966296629662966296629662966296629662966296629662966
Wavenumber (cm-1)1760 1680 1600 1520 1440 1360 1280 1200 1120 1040 960 880 800 720 640
%Tr
ansm
ittan
ce
65
70
75
80
85
465465465465465465465465465465465465465465465465465465465465465465
482482482482482482482482482482482482482482482482482482482482482482
532532532532532532532532532532532532532532532532532532532532532532
579579579579579579579579579579579579579579579579579579579579579579
625625625625625625625625625625625625625625625625625625625625625625
685685685685685685685685685685685685685685685685685685685685685685
710710710710710710710710710710710710710710710710710710710710710710
733733733733733733733733733733733733733733733733733733733733733733
756756756756756756756756756756756756756756756756756756756756756756
787787787787787787787787787787787787787787787787787787787787787787812
812812812812812812812812812812812812812812812812812812812812812
843843843843843843843843843843843843843843843843843843843843843843
870870870870870870870870870870870870870870870870870870870870870870
897897897897897897897897897897897897897897897897897897897897897897
918918918918918918918918918918918918918918918918918918918918918918
953953953953953953953953953953953953953953953953953953953953953953
976976976976976976976976976976976976976976976976976976976976976976
1005100510051005100510051005100510051005100510051005100510051005100510051005100510051005
1090109010901090109010901090109010901090109010901090109010901090109010901090109010901090
1138113811381138113811381138113811381138113811381138113811381138113811381138113811381138
1184118411841184118411841184118411841184118411841184118411841184118411841184118411841184
1230123012301230123012301230123012301230123012301230123012301230123012301230123012301230
12861286128612861286128612861286128612861286128612861286128612861286128612861286128612861340
134013401340134013401340134013401340134013401340134013401340134013401340134013401340
1390139013901390139013901390139013901390139013901390139013901390139013901390139013901390
1443144314431443144314431443144314431443144314431443144314431443144314431443144314431443
1470147014701470147014701470147014701470147014701470147014701470147014701470147014701470
1493149314931493149314931493149314931493149314931493149314931493149314931493149314931493
1568156815681568156815681568156815681568156815681568156815681568156815681568156815681568
1585158515851585158515851585158515851585158515851585158515851585158515851585158515851585
1684168416841684168416841684168416841684168416841684168416841684168416841684168416841684
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-Chloro-α-PVP HCl; Lot# RM-160311-01A
4-Chloro-α-PVPThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/6/2016 Page 5 of 5SWGDRUG.org/monographs.htm
https://en.wikipedia.org/wiki/4-Chloro-alpha-pyrrolidinovalerophenone
4. ADDITIONAL RESOURCES
Wikipedia