4-Chloro- a-PVP - SWGDRUGFTIRα-PVP HCl; Lot# RM-160311-01A ATR (Diamond 1 Bounce):...

5
4-Chloro- a -PVP The 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 5 SWGDRUG.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 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 ClNO 266 Not Determined HCl C 15 H 20 ClNO HCl 302 207.4 O N Cl CH 3

Transcript of 4-Chloro- a-PVP - SWGDRUGFTIRα-PVP HCl; Lot# RM-160311-01A ATR (Diamond 1 Bounce):...

Page 1: 4-Chloro- a-PVP - SWGDRUGFTIRα-PVP HCl; Lot# RM-160311-01A ATR (Diamond 1 Bounce): 4-Chloro-4-Chloro-a-PVP The Drug Enforcement Administration's Special Testing and Research Laboratory

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

Page 2: 4-Chloro- a-PVP - SWGDRUGFTIRα-PVP HCl; Lot# RM-160311-01A ATR (Diamond 1 Bounce): 4-Chloro-4-Chloro-a-PVP The Drug Enforcement Administration's Special Testing and Research Laboratory

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

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dimethylfumarate

H2O

DMSO

TMS

8.1 1.2

Page 3: 4-Chloro- a-PVP - SWGDRUGFTIRα-PVP HCl; Lot# RM-160311-01A ATR (Diamond 1 Bounce): 4-Chloro-4-Chloro-a-PVP The Drug Enforcement Administration's Special Testing and Research Laboratory

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

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m/z300280260240220200180160140120100806040

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Page 4: 4-Chloro- a-PVP - SWGDRUGFTIRα-PVP HCl; Lot# RM-160311-01A ATR (Diamond 1 Bounce): 4-Chloro-4-Chloro-a-PVP The Drug Enforcement Administration's Special Testing and Research Laboratory

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

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1005100510051005100510051005100510051005100510051005100510051005100510051005100510051005

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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

Page 5: 4-Chloro- a-PVP - SWGDRUGFTIRα-PVP HCl; Lot# RM-160311-01A ATR (Diamond 1 Bounce): 4-Chloro-4-Chloro-a-PVP The Drug Enforcement Administration's Special Testing and Research Laboratory

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