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| CAS No.: | 312753-53-0 |
|---|---|
| Name: | 5,6-Diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride |
| Molecular Structure: | |
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| Formula: | C13H19N.HCl |
| Molecular Weight: | 225.762 |
| Synonyms: | 5,6-diethylindan-2-ylamine hydrochloride;5,6-diethylindan-1-one;diethylindanolamine hydrochloride;2-amino-5,6-diethylindane hydrochloride;5,6-Diethyl-2,3-dihydro-1H-inden-2-aminehydrochloride;2-amino-5,6-diethylindan hydrochloride; |
| Melting Point: | >250 °C |
| Boiling Point: | 285.2 °C at 760 mmHg |
| Flash Point: | 127.6 °C |
| PSA: | 26.02000 |
| LogP: | 3.73960 |
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- 312753-53-0
5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 10h; Reflux; | 92.6% |
- 312753-53-0
5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: C13H17N3 With palladium 10% on activated carbon; hydrogen In methanol under 3800.26 Torr; Autoclave; Stage #2: With hydrogenchloride In ethyl acetate | 92% |
- 312753-70-1
5,6-diethyl-2,3-dihydro-1H-inden-2-amine
- 312753-53-0
5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In diethyl ether under 760.051 Torr; Inert atmosphere; | 77% |
| With hydrogenchloride In Isopropyl acetate at 20 - 25℃; for 2.66667h; | 70.8 g |
- 312753-53-0
5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 5,6-diethyl-3-oxime-1H-indene-1,2(3H)-dione With sulfuric acid; hydrogen; 5%-palladium/activated carbon In acetic acid for 5h; Stage #2: With sodium hydroxide pH=10; Stage #3: With hydrogenchloride In diethyl ether |
- 601487-90-5
N-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
- 312753-53-0
5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In Isopropyl acetate; water |
- 193756-44-4
N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
- 312753-53-0
5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1.1: aluminum (III) chloride / neat (no solvent) / 0.25 h / 0 - 5 °C 1.2: 255 / 1 h / 0 - 10 °C 2.1: hydrogen; 5%-palladium/activated carbon / ethanol; water / 25 °C / 2250.23 Torr / Inert atmosphere 3.1: aluminum (III) chloride / dichloromethane / 0.75 h / 0 °C 3.2: 1 h / 0 - 5 °C 4.1: palladium 10% on activated carbon / water; ethyl acetate / 0.17 h / 25 °C / 2828.7 Torr / Inert atmosphere 5.1: sodium hydroxide / ethanol / 1.5 h / 78 °C / Inert atmosphere 6.1: hydrogenchloride / Isopropyl acetate / 2.67 h / 20 - 25 °C View Scheme |
- 601487-87-0
N-(5-acetyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
- 312753-53-0
5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1.1: hydrogen; 5%-palladium/activated carbon / ethanol; water / 25 °C / 2250.23 Torr / Inert atmosphere 2.1: aluminum (III) chloride / dichloromethane / 0.75 h / 0 °C 2.2: 1 h / 0 - 5 °C 3.1: palladium 10% on activated carbon / water; ethyl acetate / 0.17 h / 25 °C / 2828.7 Torr / Inert atmosphere 4.1: sodium hydroxide / ethanol / 1.5 h / 78 °C / Inert atmosphere 5.1: hydrogenchloride / Isopropyl acetate / 2.67 h / 20 - 25 °C View Scheme |
- 601487-88-1
N-(5-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
- 312753-53-0
5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: aluminum (III) chloride / dichloromethane / 0.75 h / 0 °C 1.2: 1 h / 0 - 5 °C 2.1: palladium 10% on activated carbon / water; ethyl acetate / 0.17 h / 25 °C / 2828.7 Torr / Inert atmosphere 3.1: sodium hydroxide / ethanol / 1.5 h / 78 °C / Inert atmosphere 4.1: hydrogenchloride / Isopropyl acetate / 2.67 h / 20 - 25 °C View Scheme |
- 601487-89-2
N-(5-acetyl-6-ethyl-2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
- 312753-53-0
5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: palladium 10% on activated carbon / water; ethyl acetate / 0.17 h / 25 °C / 2828.7 Torr / Inert atmosphere 2: sodium hydroxide / ethanol / 1.5 h / 78 °C / Inert atmosphere 3: hydrogenchloride / Isopropyl acetate / 2.67 h / 20 - 25 °C View Scheme |
- 2975-41-9
2,3-dihydro-1H-inden-2-amine
- 312753-53-0
5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 7 steps 1.1: Isopropyl acetate / 3.17 h / 0 - 25 °C 2.1: aluminum (III) chloride / neat (no solvent) / 0.25 h / 0 - 5 °C 2.2: 255 / 1 h / 0 - 10 °C 3.1: hydrogen; 5%-palladium/activated carbon / ethanol; water / 25 °C / 2250.23 Torr / Inert atmosphere 4.1: aluminum (III) chloride / dichloromethane / 0.75 h / 0 °C 4.2: 1 h / 0 - 5 °C 5.1: palladium 10% on activated carbon / water; ethyl acetate / 0.17 h / 25 °C / 2828.7 Torr / Inert atmosphere 6.1: sodium hydroxide / ethanol / 1.5 h / 78 °C / Inert atmosphere 7.1: hydrogenchloride / Isopropyl acetate / 2.67 h / 20 - 25 °C View Scheme | |
| Multi-step reaction with 6 steps 1.1: triethylamine / dichloromethane / 2 h / 10 - 20 °C 2.1: aluminum (III) chloride / dichloromethane / 0.33 h / 0 - 10 °C 2.2: 1 h / 10 - 20 °C 3.1: 5%-palladium/activated carbon; hydrogen / ethanol / 6 h / 20 °C 4.1: aluminum (III) chloride / dichloromethane / 0.33 h / 0 - 10 °C 4.2: 1 h / 0 - 10 °C 5.1: 5%-palladium/activated carbon; hydrogen / ethanol / 6 h / 20 °C 6.1: hydrogenchloride / water / 10 h / Reflux View Scheme |
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Specification
The 5,6-Diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride, with the CAS registry number 312753-53-0, is also known as 1H-Inden-2-amine, 5,6-diethyl-2,3-dihydro-, hydrochloride (1:1). This chemical's molecular formula is C13H19N.HCl and formula weight is 225.76. What's more, its systematic name is called 5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride (1:1).
Physical properties of 5,6-Diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 14; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 127.6 °C; (14)Enthalpy of Vaporization: 52.42 kJ/mol; (15)Boiling Point: 285.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00285 mmHg at 25°C; (17)Melting Point: >250 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.c1c(c(cc2c1CC(N)C2)CC)CC
(2)InChI: InChI=1/C13H19N.ClH/c1-3-9-5-11-7-13(14)8-12(11)6-10(9)4-2;/h5-6,13H,3-4,7-8,14H2,1-2H3;1H
(3)InChIKey: ZOVIYWYFBOQKIA-UHFFFAOYAF