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General Information IUPAC Name: CFR: CAS #: Synonyms: Source: Appearance: Kovat's Index: UV (NM)

-PVP is a synthetic cathinone with the chemical name 1-phenyl-2-(1-pyrrolidinyl)-1-pentanone. It exists as both a base and hydrochloride salt. Key analytical methods for identifying -PVP include NMR, GC-MS, and FTIR spectroscopy. NMR analysis is conducted on a diluted sample in D2O using TSP for reference. GC-MS uses an Agilent gas chromatograph with MS detector, DB-1 column, and temperature program up to 300°C. FTIR uses a diamond ATR attachment with specific scan parameters.

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154 views6 pages

General Information IUPAC Name: CFR: CAS #: Synonyms: Source: Appearance: Kovat's Index: UV (NM)

-PVP is a synthetic cathinone with the chemical name 1-phenyl-2-(1-pyrrolidinyl)-1-pentanone. It exists as both a base and hydrochloride salt. Key analytical methods for identifying -PVP include NMR, GC-MS, and FTIR spectroscopy. NMR analysis is conducted on a diluted sample in D2O using TSP for reference. GC-MS uses an Agilent gas chromatograph with MS detector, DB-1 column, and temperature program up to 300°C. FTIR uses a diamond ATR attachment with specific scan parameters.

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anastasia
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-PVP Latest Revision: January 25, 2013

1. GENERAL INFORMATION

IUPAC Name: 1-phenyl-2-(1-pyrrolidinyl)-1-pentanone

CFR: Not Scheduled (01/2013)

CAS #: 14530-33-7 (base); 5485-65-4 (HCl)

Synonyms: -pyrrolidinopentiophenone, α-pyrrolidinovalerophenone , O-2387

Source: DEA Reference Material Collection

Appearance: White powder (HCl)

Kovat’s Index: Pending

UVmax (nm): 253.0

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA


Form Chemical Formula Molecular Weight Melting Point (°C)
Base C15H21NO 231 Not Determined

HCl C15H21NO .HCl 267 161.3

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3. ADDITIONAL RESOURCES

Forendex

Wikipedia

4. QUALITATIVE DATA

4.1 NUCLEAR MAGNETIC RESONANCE

Method NMR D2O

Sample Preparation: Dilute analyte to ~10 mg/mL in D2O containing TSP for 0 ppm reference and maleic acid
as quantitative internal standard.

Instrument: Varian Mercury 400 MHz NMR spectrometer with proton detection probe

Parameters: Spectral width: at least containing -3 ppm through 13 ppm


Pulse angle: 90°
Delay between pulses: 45 seconds
Number of scans (NT): 8
Number of steady state scans: 0
Oversampling: 4 or more
Shimming: automatic gradient shimming of Z1-4 shims
Phasing, Drift Correction: automatic or manual

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4.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY

Sample Preparation: Dilute analyte to ~1 mg/mL in MeOH.


Instrument: Agilent gas chromatograph operated in split mode with MS detector
Column: DB-1 MS; 30m x .25mm x .25m
Carrier Gas: Helium at 1 mL/min
Temperatures: Injector: 280°C
MSD transfer line: 280°C
MS Source: 230°C
MS Quad: 150°C
Oven program:
1) 100°C initial temperature for 1.0 min
2) Ramp to 300°C at 12°C/min
3) Hold final temperature for 9.0 min
Injection Parameters: Split Ratio = 20:1, 1 µL injected
MS Parameters: Mass scan range: 30-550 amu
Threshold: 100
Tune file: stune.u
Acquisition mode: scan
Retention Time: 10.208 minutes

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4.3 INFRARED SPECTROSCOPY (FTIR)

Instrument: FTIR with diamond ATR attachment (3 bounce)


Scan Parameters: Number of scans: 32
Number of background scans: 32
Resolution: 4cm-1
Sample gain: 8
Aperture: 150

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