4-Fluoro-PVP - SWGDRUG · 4-Fluoro-α-PVP,4-fluoro-α-2-(1-yrrolidinyl)-valerophenone,p...

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Page 1 of 5 SWGDRUG.org/monographs.htm Latest Revision: 03/04/2015 4-Fluoro-PVP The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 1. GENERAL INFORMATION IUPAC Name: 1-(4-fluorophenyl)-2-(pyrrolidin-1-yl)pentan-1-one CAS#: 850352-31-7 Synonyms: Source: 4-Fluoro- α -PVP, 4-fluoro-α-2-(1-pyrrolidinyl)-valerophenone, 4-fluoro- α -pyrrolidionpentiophenone DEA Reference Material Collection Appearance: White powder UV max (nm): Not Determined 2. CHEMICAL AND PHYSICAL DATA 2.1 CHEMICAL DATA Form Chemical Formula Molecular Weight Melting Point ( o C) Base C 15 H 20 FNO 249 Not Determined HCl C 15 H 20 FNO HCl 285 204.4 F O N CH 3

Transcript of 4-Fluoro-PVP - SWGDRUG · 4-Fluoro-α-PVP,4-fluoro-α-2-(1-yrrolidinyl)-valerophenone,p...

Page 1: 4-Fluoro-PVP - SWGDRUG · 4-Fluoro-α-PVP,4-fluoro-α-2-(1-yrrolidinyl)-valerophenone,p 4-fluoro-α-pyrrolidionpentiophenone DEA Reference Material Collection Appearance: White powder

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

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

generated this monograph using structurally confirmed reference material.

1. GENERAL INFORMATION

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

CAS#: 850352-31-7

Synonyms:

Source:

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

4-fluoro-α-pyrrolidionpentiophenone

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

F

O

N

CH3

Page 2: 4-Fluoro-PVP - SWGDRUG · 4-Fluoro-α-PVP,4-fluoro-α-2-(1-yrrolidinyl)-valerophenone,p 4-fluoro-α-pyrrolidionpentiophenone DEA Reference Material Collection Appearance: White powder

Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 03/04/2015

4-Fluoro-PVPThe 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 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 seconds1H NMR: 4-Fluoro-PVP HCl, Lot 0453912-14, D2O 400MHz

8 7 6 5 4 3 2 1 0

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0.850

3

Page 3: 4-Fluoro-PVP - SWGDRUG · 4-Fluoro-α-PVP,4-fluoro-α-2-(1-yrrolidinyl)-valerophenone,p 4-fluoro-α-pyrrolidionpentiophenone DEA Reference Material Collection Appearance: White powder

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

4-Fluoro-PVPThe 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 detectorColumn: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1 mL/minTemperatures: Injector: 280oC

MSD transfer line: 280oCMS Source: 230oCMS Quad: 150oCOven program:

1) 100oC initial temperature for 1.0 min2) Ramp to 300oC at 12 oC/min3) Hold final temperature for 9.0 min

Injection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu

Threshold: 100Tune file: stune.uAcquisition mode: scan

Retention Time: 8.837 minEI Mass Spectrum: 4-Fluoro-PVP HCl, Lot 0453912-14

m/z240220200180160140120100806040

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Page 4: 4-Fluoro-PVP - SWGDRUG · 4-Fluoro-α-PVP,4-fluoro-α-2-(1-yrrolidinyl)-valerophenone,p 4-fluoro-α-pyrrolidionpentiophenone DEA Reference Material Collection Appearance: White powder

Page 4 of 5SWGDRUG.org/monographs.htmLatest Revision: 03/04/2015

4-Fluoro-PVPThe 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: 32Resolution: 4 cm-1

Sample gain: 8Aperture: 150

FTIR ATR (Diamond, 1 Bounce): 4-Fluoro-PVP HCl, Lot 0453912-14

Wavenumber (cm-1)3500 3000 2500 2000 1500

%Tr

ansm

ittan

ce

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779779779779779779779779779779779779779779779779779779779779779779

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9539539539539539539539539539539539539539539539539539539539539539531007

100710071007100710071007100710071007100710071007100710071007100710071007100710071007

1107110711071107110711071107110711071107110711071107110711071107110711071107110711071107

11361136113611361136113611361136113611361136113611361136113611361136113611361136113611361165116511651165116511651165116511651165116511651165116511651165116511651165116511651165

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

%Tr

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544544544544544544544544544544544544544544544544544544544544544544577

577577577577577577577577577577577577577577577577577577577577577

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841841841841841841841841841841841841841841841841841841841841841841

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1007100710071007100710071007100710071007100710071007100710071007100710071007100710071007

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Page 5: 4-Fluoro-PVP - SWGDRUG · 4-Fluoro-α-PVP,4-fluoro-α-2-(1-yrrolidinyl)-valerophenone,p 4-fluoro-α-pyrrolidionpentiophenone DEA Reference Material Collection Appearance: White powder

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

4-Fluoro-PVPThe 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