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methyl 2-(1-H-indol-3-yl)ethylcarbamate
[2-(1H-indol-3-yl)-ethyl]-methylamine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran at 60℃; | 95% |
With lithium aluminium tetrahydride In tetrahydrofuran for 4h; Heating; | 94% |
With sodium bis(2-methoxyethoxy)aluminium dihydride In toluene for 3h; Inert atmosphere; Reflux; | 84% |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 3.25h; Heating; | 90% |
With lithium aluminium tetrahydride | |
With lithium aluminium tetrahydride In diethyl ether for 2h; Heating; Yield given; |
ethyl 2-(1H-indole-3-yl)ethylcarbamate
[2-(1H-indol-3-yl)-ethyl]-methylamine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 1h; Heating; | 89% |
With lithium aluminium tetrahydride In tetrahydrofuran for 1.5h; Inert atmosphere; Reflux; | 86% |
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Reflux; | 85% |
tert-butyl [2-(1H-indol-3-yl)ethyl]carbamate
[2-(1H-indol-3-yl)-ethyl]-methylamine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 25℃; for 24h; | 52% |
indole
oxalyl dichloride
methylamine
[2-(1H-indol-3-yl)-ethyl]-methylamine
Conditions | Yield |
---|---|
Stage #1: indole; oxalyl dichloride In tetrahydrofuran at 0 - 20℃; Stage #2: methylamine In tetrahydrofuran at 0 - 20℃; for 2h; Stage #3: With lithium aluminium tetrahydride In tetrahydrofuran for 4h; Reflux; | 50% |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 7h; Inert atmosphere; Reflux; | 42% |
Conditions | Yield |
---|---|
With dimethylsulfide borane complex In tetrahydrofuran for 48h; Heating; | A 29% B 24% C 36% |
methyl 2-(1-H-indol-3-yl)ethylcarbamate
A
[2-(1H-indol-3-yl)-ethyl]-methylamine
(±)-1,1'-dimethyl-2,2',3,3',8,8a,8',8'a-octahydro-1H,1'H-3a,3'a-bipyrrolo[2,3-b]indole
C
meso-Chimonanthine
Conditions | Yield |
---|---|
Stage #1: methyl 2-(1-H-indol-3-yl)ethylcarbamate With 2,2,2-trifluoroethanol; bis-[(trifluoroacetoxy)iodo]benzene at -30℃; Stage #2: With sodium bis(2-methoxyethoxy)aluminium dihydride In toluene Heating; | A 9% B 13% C 30% D 23% |
The CAS register number of 3-(2-Methylaminoethyl)indole is 61-49-4. It also can be called as N(omega)-Methyltryptamine and the IUPAC name about this chemical is 2-(1H-indol-3-yl)-N-methylethanamine. The molecular formula about this chemical is C11H14N2 and the molecular weight is 174.24. It belongs to the following product categories, such as Tryptamines; Heterocyclic Compounds and so on. When you are using it, please avoid contact with skin and eyes.
Physical properties about 3-(2-Methylaminoethyl)indole are: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): -1.58; (3)ACD/LogD (pH 7.4): -1.42; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 8.17Å2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 56.3 cm3; (14)Molar Volume: 160 cm3; (15)Polarizability: 22.32x10-24cm3; (16)Surface Tension: 45.2 dyne/cm; (17)Enthalpy of Vaporization: 57.93 kJ/mol; (18)Boiling Point: 336.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000114 mmHg at 25°C.
Preparation: this chemical can be prepared by N-(2-indol-3-yl-ethyl)-formamide. This reaction will need reagent LiAlH4.
Uses of 3-(2-Methylaminoethyl)indole: it can be used to produce 2-iodo-N-methyltryptamine. This reaction will need reagent aq. chloramine-T, KI and solvent CHCl3 with reaction time of 5 min. The yield is about 87%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2c1c(cn2)CCNC
(2)InChI: InChI=1/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
(3)InChIKey: NCIKQJBVUNUXLW-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
(5)Std. InChIKey: NCIKQJBVUNUXLW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 158mg/kg (158mg/kg) | BEHAVIORAL: EXCITEMENT | Journal of Toxicology and Environmental Health. Vol. 1, Pg. 515, 1976. |