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4-(N,N-dimethylamino)butyraldehyde dimethyl acetal
4-bromophenylhydrazine hydrochloride
5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole
Conditions | Yield |
---|---|
With sulfuric acid for 2h; Heating; | 93% |
2-(5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-N,N-dimethyl-acetamide
B
5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole
Conditions | Yield |
---|---|
Stage #1: 2-(5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-N,N-dimethyl-acetamide With sodium tetrahydroborate; boron trifluoride diethyl etherate In 1,2-dimethoxyethane at 25 - 27℃; for 12h; Stage #2: With 4 N NAOH In 1,2-dimethoxyethane at 80℃; for 0.5h; Stage #3: With 1,2-diaza-bicyclo[2.2.2]octane In 1,2-dimethoxyethane for 2h; | A n/a B 85% |
2-(5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-N,N-dimethyl-acetamide
5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole
Conditions | Yield |
---|---|
Stage #1: 2-(5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-N,N-dimethyl-acetamide With sodium tetrahydroborate; boron trifluoride diethyl etherate In 1,2-dimethoxyethane at -15 - 20℃; Stage #2: With 1,4-diaza-bicyclo[2.2.2]octane for 2h; Heating / reflux; Stage #3: With manganese(IV) oxide; sodium hydroxide; water more than 3 stages; | 85% |
Conditions | Yield |
---|---|
With formaldehyd; nitrogen; sodium cyanoborohydride; acetic acid at 0 - 20℃; for 24h; | 84% |
2-(5-bromo-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole
Conditions | Yield |
---|---|
With sodium hydroxide In tetrahydrofuran; hexane; ethyl acetate | 75% |
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; Heating / reflux; |
formaldehyd
5-bromotryptamine
5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole
Conditions | Yield |
---|---|
With sodium acetate; sodium cyanoborohydride In methanol at 0 - 25℃; for 5h; | 70.4% |
5-bromo-1H-indole
2-(N,N-dimethylamino)ethanol
5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole
Conditions | Yield |
---|---|
With C37H36Cl2NPRuS2; caesium carbonate at 135℃; for 24h; Inert atmosphere; Sealed tube; | 40% |
1-hydroxy-N,N-dimethyltryptamine
A
N,N-dimethyltryptamine
B
5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole
Conditions | Yield |
---|---|
With hydrogen bromide for 1h; Ambient temperature; | A 11% B 25% C 2% |
2-(5-bromo-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
A
N,N-dimethyltryptamine
B
5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In 1,4-dioxane for 3h; Heating; |
5-bromotryptamine
methyl iodide
5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole
Conditions | Yield |
---|---|
Stage #1: 5-bromotryptamine With vinylsulfonylmethyl polystyrene In N,N-dimethyl-formamide Stage #2: methyl iodide In N,N-dimethyl-formamide Stage #3: With N-ethyl-N,N-diisopropylamine In dichloromethane Hoffman elimination; Further stages.; |
The 1H-Indole-3-ethanamine,5-bromo-N,N-dimethyl-, with the CAS registry number 17274-65-6, is also known as 5-Bromo-N,N-dimethyltryptamine. This chemical's molecular formula is C12H15BrN2 and molecular weight is 267.16. What's more, its systematic name is 2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine.
Physical properties of 1H-Indole-3-ethanamine,5-bromo-N,N-dimethyl- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.47; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13.92; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)olar Surface Area: 19.03 Å2; (12)Index of Refraction: 1.638; (13)Molar Refractivity: 68.75 cm3; (14)Molar Volume: 191.1 cm3; (15)Polarizability: 27.25×10-24cm3; (16)Surface Tension: 47.9 dyne/cm; (17)Density: 1.397 g/cm3; (18)Flash Point: 185.2 °C E; (19)nthalpy of Vaporization: 63.1 kJ/mol; (20)Boiling Point: 382.6 °C at 760 mmHg; (21)Vapour Pressure: 4.67E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)CCc2cnc1ccc(Br)cc12
(2)Std. InChI: InChI=1S/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
(3)Std. InChIKey: ATEYZYQLBQUZJE-UHFFFAOYSA-N