'-Phenyl fentanyl - SWGDRUG

'-Phenyl fentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Latest Revision: 6/12/2019 of 4SWGDRUG.org/monographs.htm

1. GENERAL INFORMATION

IUPAC Name:

CAS#:

Synonyms:

Source:

Appearance:

UVmax(nm):

N-(1-phenethylpiperidin-4-yl)-N-3-diphenylpropanamide

79279-02-0

3-phenylpropanoyl fentanyl, hydrocinnamoyl fentanyl,N,3-diphenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

DEA Reference Material Collection

White powder

Not determined

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA

Form Chemical Formula Molecular Weight Melting Point (oC)

Base C28H32N2O 412.57 Not Determined

HCl C28H32N2O HCl 449.03 Not Determined

N

N

O




3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Sample Preparation: Dilute analyte to ~11 mg/mL in CDCl3 containing TMS for 0 ppm reference and 1,4-BTMSB-d4 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: '-Phenyl fentanyl; LOT # 0519541-4; CDCl3; 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

224222212283

CDCl3 BTMSB

TMS

impurity (CH2Cl2) H2O

7.30 7.25 7.20 7.15

83

7.0507.025

2

6.875

2

4.700

1

3.00 2.75 2.50

2222

2.20

4

1.75

2

1.40

2

CDCl3 H2O




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 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 30.0 min

Injection Parameters: MS Parameters: Threshold: 150

Acquisition mode: scanRetention Time:

Split Ratio = 25:1, 1 L injected Mass scan range: 30-550 amu Tune file: stune.u 26.343 min

EI Mass Spectrum: '-Phenyl fentanyl; LOT # 0519541-4

m/z40035030025020015010050

[x 1

05 ]In

tens

ity

0

0.5

1.0

1.5

2.0

2.5

3.0

3.5

4.0

4.5

5.0

5.5

42424242424242424242424242424242424242424242

55555555555555555555555555555555555555555555

77777777777777777777777777777777777777777777

91919191919191919191919191919191919191919191105105105105105105105105105105105105105105105105105105105105105105

132132132132132132132132132132132132132132132132132132132132132132

146146146146146146146146146146146146146146146146146146146146146146

158158158158158158158158158158158158158158158158158158158158158158167167167167167167167167167167167167167167167167167167167167167167

189189189189189189189189189189189189189189189189189189189189189189

208208208208208208208208208208208208208208208208208208208208208208225225225225225225225225225225225225225225225225225225225225225225 278278278278278278278278278278278278278278278278278278278278278278

292292292292292292292292292292292292292292292292292292292292292292

321321321321321321321321321321321321321321321321321321321321321321

410410410410410410410410410410410410410410410410410410410410410410




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): '-Phenyl fentanyl; LOT # 0519541-4

Wavenumber (cm-1)3500 3000 2500 2000 1500 1000

%Tr

ansm

ittan

ce

40

48

56

64

72

513513513513513513513513513513513513513513513513513513513513513513

605605605605605605605605605605605605605605605605605605605605605605

696696696696696696696696696696696696696696696696696696696696696696

705705705705705705705705705705705705705705705705705705705705705705

747747747747747747747747747747747747747747747747747747747747747747

7827827827827827827827827827827827827827827827827827827827827827821079

1079107910791079107910791079107910791079107910791079107910791079107910791079107910791134113411341134113411341134113411341134113411341134113411341134113411341134113411341134

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2860286028602860286028602860286028602860286028602860286028602860286028602860286028602860

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%Tr

ansm

ittan

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40

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72

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463463463463463463463463463463463463463463463463463463463463463

481481481481481481481481481481481481481481481481481481481481481481

497497497497497497497497497497497497497497497497497497497497497497

513513513513513513513513513513513513513513513513513513513513513513

549549549549549549549549549549549549549549549549549549549549549549

562562562562562562562562562562562562562562562562562562562562562562

605605605605605605605605605605605605605605605605605605605605605605

622622622622622622622622622622622622622622622622622622622622622622

654654654654654654654654654654654654654654654654654654654654654654

696696696696696696696696696696696696696696696696696696696696696696

705705705705705705705705705705705705705705705705705705705705705705

747747747747747747747747747747747747747747747747747747747747747747

759759759759759759759759759759759759759759759759759759759759759759

782782782782782782782782782782782782782782782782782782782782782782

840840840840840840840840840840840840840840840840840840840840840840908

908908908908908908908908908908908908908908908908908908908908908

932932932932932932932932932932932932932932932932932932932932932932

965965965965965965965965965965965965965965965965965965965965965965

9819819819819819819819819819819819819819819819819819819819819819811028

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'-Phenyl fentanyl - SWGDRUG

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