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

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1503150315031503150315031503150315031503150315031503150315031503150315031503150315031503

1580158015801580158015801580158015801580158015801580158015801580158015801580158015801580

1720172017201720172017201720172017201720172017201720172017201720172017201720172017201720

2402240224022402240224022402240224022402240224022402240224022402240224022402240224022402

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2557255725572557255725572557255725572557255725572557255725572557255725572557255725572557

2641264126412641264126412641264126412641264126412641264126412641264126412641264126412641

28662866286628662866286628662866286628662866286628662866286628662866286628662866286628662928

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3064306430643064306430643064306430643064306430643064306430643064306430643064306430643064

Wavenumber (cm-1)1900 1800 1700 1600 1500 1400 1300 1200 1100 1000 900 800 700

%Tr

ansm

ittan

ce

60

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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

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1503150315031503150315031503150315031503150315031503150315031503150315031503150315031503

1580158015801580158015801580158015801580158015801580158015801580158015801580158015801580

1600160016001600160016001600160016001600160016001600160016001600160016001600160016001600

1720172017201720172017201720172017201720172017201720172017201720172017201720172017201720

4-FluoroethylphenidateThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.