4 chloro 2,5 dimethoxyamphetamine

SWGDRUG.org/monographs.htmLatest Revision: 3/14/2014

4-Chloro-2,5-DimethoxyamphetamineThe Drug Enforcement Administrations Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

OCH3

Cl

OCH3

NH2

CH3

1. GENERAL INFORMATION

IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)propan-2-amine

CAS#: 123431-31-2 (base), 42203-77-0 (HCl)

Synonyms: DOC, 4-Cl-2,5-DMA, 2,5-dimethoxy-4-chloroamphetamine

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 C11H16ClNO2 229 Not DeterminedHCl C11H16ClNO2 . HCl 266 194.6




3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Sample Preparation: Dilute analyte to ~5 mg/mL in deuterium oxide ( D2O) containing TSP for 0 ppmreference 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

1H NMR: 4-Chloro-2,5-dimethoxyamphetamine HCl; Lot MP193-194; D2O; 400 MHz

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

0

1

2

3

4

5

6

7

8

9

10

3213311

HDOMaleic acid (ISTD)

TSP

Chemical Shift (ppm)

1.325 1.275

0

1

2

3

3

2.950 2.900

0

0.5

1.0

1.5

2

3.70 3.65 3.60

0

0.25

1

7.2 7.1 7.0

0

1

2

11

3.85 3.80

0

2.5

5.0

7.5

33




3.2 Gas Chromatography/Mass Spectrometry

Sample Preparation: Dilute analyte ~ 4 mg/mL base extracted into chloroform

Instrument: Agilent gas chromatograph operated in split mode with MS detector

Column: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25mm

Carrier Gas: Helium at 1 mL/min

Temperatures: Injector: 280oC

MSD transfer line: 280oC MS Source: 230oC MS Quad: 150oC Oven program: 1) 100oC initial temperature for 1.0 min 2) Ramp to 300oC at 12oC/min 3) Hold final temperature for 9.0 minInjection Parameters:

Split Ratio = 25:1, 1mL injectedMS Parameters: Mass scan range: 34-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scanRetention Time:

9.420 min

EI Mass Spectrum: 4-Chloro-2,5-dimethoxyamphetamine HCl; Lot MP193-194

m/z220200180160140120100806040

[x 10

5 ]In

tens

ity

1

2

39 4244

51 65 75 77

89 91 99 105

112

125

142

155

171 1

8618

819

8

214

229

EI+

m/z220200180160140120100806040

[x 10

4 ]In

tens

ity

3942

4451 65 75

77

89 91 99

105

112

125

142 1

55

171 186

188

198

214

229

EI+




3.3 INFRARED SPECTROSCOPY (FTIR)Insrument: FTIR with diamond ATR attachment (3 bounce)Scan Parameters: Number of scans: 32

Number of background scans: 32Resolution: 4 cm-1

Sample gain: 8Aperture: 150

FTIR ATR (Diamond, 3 Bounce): 4-Chloro-2,5-dimethoxyamphetamine HCl; Lot MP193-194

Wavenumber (cm-1)3500 3000 2500 2000 1500

%Tr

ansm

ittan

ce

10

20

30

40

50

60

438499633710

737804860903

9721009

10341119

11801198

12091309

13921466

14971591

1610

202725012569273928022831

285028912939

29973068

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

%Tr

ansm

ittan

ce

10

20

30

40

50

60 405438

499

633671710

737804833860

903

9721009

10341055

10931119

11801198

12091248128613091356

13921439

14661497

15911610




http://forendex.southernforensic.org/index.php/detail/index/179

http://en.wikipedia.org/wiki/4-Chloro-2,5-dimethoxyamphetamine

4. ADDITIONAL RESOURCES

Forendex

Wikipedia

4 chloro 2,5 dimethoxyamphetamine

Documents