Post on 03-Aug-2020
4-FluoroethylphenidateThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 5/4/2018 Page 1 of 4SWGDRUG.org/monographs.htm
1. GENERAL INFORMATION
IUPAC Name: ethyl 2-(4-fluorophenyl)-2-(piperidin-2-yl)acetate
CAS#: N/A
Synonyms: ethyl (4-fluorophenyl)(piperidin-2-yl)acetate
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 C15H20FNO2 265.32 Not Determined
HCl C15H20FNO2 HCl 301.78 Not Determined
NH
OOCH3
F
Latest Revision: 5/4/2018 Page 2 of 4SWGDRUG.org/monographs.htm
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~18 mg/mL in D2O containing TSP for 0 ppm reference and maleic acid 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-Fluoroethylphenidate HCl; Lot # RM-180119-01; D2O; 400MHz
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
3222111122 2
maleic acid HDO
TSP
7.3 7.2
22
4.25 4.20
2
4.000
1
3.825
1
3.475
1
3.10 3.05
1
1.9 1.8 1.7 1.6 1.5 1.4
222
1.175
3
4-FluoroethylphenidateThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 5/4/2018 Page 3 of 4SWGDRUG.org/monographs.htm
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~ 4 mg/mL in CHCl3
Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: HP-5 MS (or equivalent); 30m x 0.25 mm x 0.25 mCarrier 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 L injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 250
Tune file: stune.u Acquisition mode: scanRetention Time: 9.736 min
EI Mass Spectrum: 4-Fluoroethylphenidate HCl; Lot# RM-180119-01
m/z260240220200180160140120100806040
[x 1
06 ]In
tens
ity
0.5
1.0
1.5
2.0
3939393939393939393939393939393939393939393941414141414141414141414141414141414141414141
56565656565656565656565656565656565656565656
6767676767676767676767676767676767676767676768686868686868686868686868686868686868686868
83838383838383838383838383838383838383838383
84848484848484848484848484848484848484848484
85858585858585858585858585858585858585858585
109109109109109109109109109109109109109109109109109109109109109109
135135135135135135135135135135135135135135135135135135135135135135
148148148148148148148148148148148148148148148148148148148148148148162 182182182182182182182182182182182182182182182182182182182182182182 192192192192192192192192192192192192192192192192192192192192192192
m/z264256248240232224216208200192184
[x 1
05 ]In
tens
ity
0.5
1.0
182182182182182182182182182182182182182182182182182182182182182182
183183183183183183183183183183183183183183183183183183183183183183190190190190190190190190190190190190190190190190190190190190190190
191191191191191191191191191191191191191191191191191191191191191191192192192192192192192192192192192192192192192192192192192192192192
216216216216216216216216216216216216216216216216216216216216216216 220220220220220220220220220220220220220220220220220220220220220220 236236236236236236236236236236236236236236236236236236236236236236 263263263263263263263263263263263263263263263263263263263263263263264264264264264264264264264264264264264264264264264264264264264264
266266266266266266266266266266266266266266266266266266266266266266
4-FluoroethylphenidateThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 5/4/2018 Page 4 of 4SWGDRUG.org/monographs.htm
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-Fluoroethylphenidate HCl; Lot# RM-180119-01
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
60
65
70
75
80
85
421421421421421421421421421421421421421421421421421421421421421421
518518518518518518518518518518518518518518518518518518518518518518
543543543543543543543543543543543543543543543543543543543543543543
600600600600600600600600600600600600600600600600600600600600600600
810810810810810810810810810810810810810810810810810810810810810810
843843843843843843843843843843843843843843843843843843843843843843
864864864864864864864864864864864864864864864864864864864864864864
920920920920920920920920920920920920920920920920920920920920920920
1023102310231023102310231023102310231023102310231023102310231023102310231023102310231023
1100110011001100110011001100110011001100110011001100110011001100110011001100110011001100
11621162116211621162116211621162116211621162116211621162116211621162116211621162116211621198
119811981198119811981198119811981198119811981198119811981198119811981198119811981198
1224122412241224122412241224122412241224122412241224122412241224122412241224122412241224
1330133013301330133013301330133013301330133013301330133013301330133013301330133013301330
1434143414341434143414341434143414341434143414341434143414341434143414341434143414341434
1503150315031503150315031503150315031503150315031503150315031503150315031503150315031503
1580158015801580158015801580158015801580158015801580158015801580158015801580158015801580
1720172017201720172017201720172017201720172017201720172017201720172017201720172017201720
2402240224022402240224022402240224022402240224022402240224022402240224022402240224022402
2490249024902490249024902490249024902490249024902490249024902490249024902490249024902490
2557255725572557255725572557255725572557255725572557255725572557255725572557255725572557
2641264126412641264126412641264126412641264126412641264126412641264126412641264126412641
28662866286628662866286628662866286628662866286628662866286628662866286628662866286628662928
292829282928292829282928292829282928292829282928292829282928292829282928292829282928
2965296529652965296529652965296529652965296529652965296529652965296529652965296529652965
3064306430643064306430643064306430643064306430643064306430643064306430643064306430643064
Wavenumber (cm-1)1900 1800 1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
60
65
70
75
80
85
421421421421421421421421421421421421421421421421421421421421421421
445445445445445445445445445445445445445445445445445445445445445445
459459459459459459459459459459459459459459459459459459459459459459
500500500500500500500500500500500500500500500500500500500500500500
518518518518518518518518518518518518518518518518518518518518518518
543543543543543543543543543543543543543543543543543543543543543543
600600600600600600600600600600600600600600600600600600600600600600
629629629629629629629629629629629629629629629629629629629629629629688
688688688688688688688688688688688688688688688688688688688688688720720720720720720720720720720720720720720720720720720720720720720752
752752752752752752752752752752752752752752752752752752752752752764
764764764764764764764764764764764764764764764764764764764764764
810810810810810810810810810810810810810810810810810810810810810810
843843843843843843843843843843843843843843843843843843843843843843
864864864864864864864864864864864864864864864864864864864864864864
920920920920920920920920920920920920920920920920920920920920920920
991991991991991991991991991991991991991991991991991991991991991991
1023102310231023102310231023102310231023102310231023102310231023102310231023102310231023
1054105410541054105410541054105410541054105410541054105410541054105410541054105410541054
1083108310831083108310831083108310831083108310831083108310831083108310831083108310831083
1100110011001100110011001100110011001100110011001100110011001100110011001100110011001100
1135113511351135113511351135113511351135113511351135113511351135113511351135113511351135
1162116211621162116211621162116211621162116211621162116211621162116211621162116211621162
1178117811781178117811781178117811781178117811781178117811781178117811781178117811781178
1198119811981198119811981198119811981198119811981198119811981198119811981198119811981198
1224122412241224122412241224122412241224122412241224122412241224122412241224122412241224
12791279127912791279127912791279127912791279127912791279127912791279127912791279127912791314
1314131413141314131413141314131413141314131413141314131413141314131413141314131413141330
133013301330133013301330133013301330133013301330133013301330133013301330133013301330
1346134613461346134613461346134613461346134613461346134613461346134613461346134613461346
1377137713771377137713771377137713771377137713771377137713771377137713771377137713771377
1434143414341434143414341434143414341434143414341434143414341434143414341434143414341434
1463146314631463146314631463146314631463146314631463146314631463146314631463146314631463
1503150315031503150315031503150315031503150315031503150315031503150315031503150315031503
1580158015801580158015801580158015801580158015801580158015801580158015801580158015801580
1600160016001600160016001600160016001600160016001600160016001600160016001600160016001600
1720172017201720172017201720172017201720172017201720172017201720172017201720172017201720
4-FluoroethylphenidateThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.