4-AcO-DIPT

4-Acetoxy-diisopropyltryptamine
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
CH3
CH3
CH3
H3C
N
O
CH3
O
N
H
1. GENERAL INFORMATION
IUPAC Name:
3-[2-[di(propan-2-yl)amino]ethyl-1H-indol-4-yl acetate
CAS#:
936015-60-0
Synonyms:
4-AcO-DIPT, 4-Acetoxy-DiPT
Source:
DEA Reference Material Collection
Appearance:
White powder (HCl)
UVmax (nm):
Not Determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form
Chemical Formula
Molecular Weight
Melting Point ( oC)
Base
C18H26N2O2
302
Not Determined
HCl
C18H26N2O2 . HCl
338
168.0
Latest Revision: 12/16/2013
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4-Acetoxy-diisopropyltryptamine
The 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
Method NMR DMSO
Sample Preparation: Dilute analyte to ~20 mg/mL in DMSO.
Instrument:
Parameters:
400 MHz NMR spectrometer
Spectral width: at least containing -3 ppm through 13 ppm
Pulse angle: 90o
Delay between pulses: 45 seconds
1
H NMR: 4-AcO-DIPT HCl; Lot # SF1740; DMSO; 400 MHZ
10
9
8
7
6
5
4
DMSO
3
Water
2
1
0
1
1
11
111 1
10
Latest Revision: 12/16/2013
9
8
7
2
6
5
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4
4
3
3
12
Chemical Shift (ppm)
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4-Acetoxy-diisopropyltryptamine
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
1
H NMR: 4-AcO-DIPT HCl; Lot # SF1740; DMSO; 400 MHZ
3
DMSO
2
Water
1
0
1
1
1
7.25
1
2
Chemical Shift (ppm)
4
3.5
3
3.0
2.5
12
Chemical Shift (ppm)
NMR Analytical Observation:
The above NMR spectrum indicates the presence of 27 hydrogens rather than the expected 26. This
is probably due to the fact that the substance is an inorganic acid salt. The 10.31 ppm proton is on the
N-diisopropyl nitrogen while the 11.34 ppm proton is on the indole nitrogen.
3.2 Gas Chromatography/Mass Spectrometry
Sample Preparation: Dilute analyte ~1 mg/mL in chloroform.
Instrument:
Column:
Carrier Gas:
Temperatures:
Injection Parameters:
MS Parameters:
Retention Time:
Latest Revision: 12/16/2013
Agilent gas chromatograph operated in split mode with MS detector
DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µm
Helium at 1 mL/min
Injector: 280oC
MSD transfer line: 280oC
MS Source: 230 oC
MS Quad: 150oC
Oven program:
1) 100oC initial temperature for 1.0 min
2) Ramp to 300 oC at 12 oC/min
3) Hold final temperature for 9.0 min
Split Ratio = 20:1, 1 µL injected
Mass scan range: 30-550 amu
Threshold: 100
Tune file: stune.u
Acquisition mode: scan
15.054 min
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4-Acetoxy-diisopropyltryptamine
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
5
Intensity [x 10 ]
114
EI Mass Spectrum: 4-AcO-DIPT HCl Lot # SF1740A
4
3
302
285
272
257
229
215
203
173
175
186
189
146
159
160
130
88
90
99
103
56
EI+
43
1
30
72
2
0
50
100
150
200
250
m/z
3.3 INFRARED SPECTROSCOPY (FTIR)
Insrument:
Scan Parameters:
FTIR with diamond ATR attachment (3 bounce)
Number of scans: 32
Number of background scans: 32
Resolution: 4 cm-1
Sample gain: 8
Aperture: 150
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4-Acetoxy-diisopropyltryptamine
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
831
908
1036
1751
64
1086
1371
1429
72
56
2500
Wavenumber (cm-1)
575
789
498
528
876
634
725
831
908
1086
1163
1036
1751
64
1371
1429
72
1500
982
1466
1500
80
2000
1250
%Transmittance
3000
750
1203
1217
3500
584
619
634
725
924
1500
3151
80
2613
%Transmittance
FTIR ATR (Diamond, 3 Bounce): 4-AcO-DIPT HCl Lot # SF1740A
56
750
1217
1700
1600
1500
Latest Revision: 12/16/2013
1400
1300
1200
1100
1000
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900
800
700 Wavenumber (cm-1)
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4-Acetoxy-diisopropyltryptamine
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
4. ADDITIONAL RESOURCES
http://en.wikipedia.org/wiki/4-Acetoxy-DIPT
Wikipedia
Latest Revision: 12/16/2013
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