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2-hexyl-2-azabicyclo[2.2.1]hept-5-ene
1-hexylamine hydrochloride
Conditions | Yield |
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copper(II) sulfate In ethanol at 70℃; for 5h; | 99% |
Conditions | Yield |
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Stage #1: 1-nitrohexane With iron(III)-acetylacetonate; hydrazine hydrate In methanol at 150℃; for 0.0333333h; Microwave irradiation; Stage #2: With hydrogenchloride In water; ethyl acetate chemoselective reaction; | 97% |
Stage #1: 1-nitrohexane With C36H56Cl3CrN2O; magnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; Schlenk technique; Stage #2: With hydrogenchloride In tetrahydrofuran; water; ethyl acetate at 20℃; | 93% |
Conditions | Yield |
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Stage #1: hexanenitrile With ammonium hydroxide; hydrogen; nano-dicobalt phosphide on hydrotalcite In isopropyl alcohol at 130℃; under 30003 Torr; for 1h; Autoclave; Stage #2: With hydrogenchloride In 1,4-dioxane | 93% |
Stage #1: hexanenitrile With fac-[Mn(1,2-bis(di-n-propylphosphino)ethane)(CO)3(CH3)]; hydrogen In toluene at 100℃; under 37503.8 Torr; for 18h; Autoclave; Stage #2: With hydrogenchloride In diethyl ether Inert atmosphere; | 92% |
Multi-step reaction with 2 steps 1: potassium hydroxide / Raney nickel / Heating 2: hydrochloric acid / H2O View Scheme | |
Multi-step reaction with 2 steps 1: carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)amino]ruthenium(II); hydrogen / isopropyl alcohol / 3 h / 100 °C / 22502.3 Torr / Autoclave 2: hydrogenchloride / isopropyl alcohol; diethyl ether; methanol View Scheme | |
Multi-step reaction with 2 steps 1: hydrogen; ammonia / toluene / 16 h / 120 °C / 22502.3 Torr / Autoclave 2: hydrogenchloride / diethyl ether / 20 °C View Scheme |
Conditions | Yield |
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Stage #1: Caproamide With bis(cyclopentadienyl)dihydrozirconium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane at 20℃; under 760.051 Torr; for 24h; Inert atmosphere; Stage #2: With hydrogenchloride In diethyl ether Inert atmosphere; | 78% |
Stage #1: Caproamide With bis(tetrahydrofuran)calcium di(bis(trimethylsilyl)amide); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In toluene at 120℃; for 36h; Inert atmosphere; Schlenk technique; Stage #2: With hydrogenchloride In diethyl ether; toluene Inert atmosphere; Schlenk technique; | 75% |
Yield given. Multistep reaction; |
2-chloro-3-hexynylamine hydrochloride
1-hexylamine hydrochloride
Conditions | Yield |
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With hydrogen; palladium on activated charcoal In ethanol for 1h; | 29% |
Hexyl-phosphorimidic acid triethyl ester
1-hexylamine hydrochloride
Conditions | Yield |
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With hydrogenchloride In N,N-dimethyl-formamide; benzene for 2h; Ambient temperature; Yield given; |
A
1-hexylamine hydrochloride
Conditions | Yield |
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With water at 20℃; for 12h; Equilibrium constant; pH 11.6; pH 12.0; |
Conditions | Yield |
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With sodium hydroxide hydrolysis; |
hexyl-isopropyliden-amine
1-hexylamine hydrochloride
Conditions | Yield |
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With hydrogenchloride In water | |
With hydrogenchloride In water at 20℃; for 1h; |
N-(diphenylmethylene)hexan-1-amine
1-hexylamine hydrochloride
Conditions | Yield |
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With hydrogenchloride In diethyl ether for 6h; |
This chemical is called 1-Hexanamine, hydrochloride (1:1), and its CAS registry number is 142-81-4. With the molecular formula of C6H16ClN, its molecular weight is 137.65. In addition, this chemical should be sealed in the cool and dry place.
Other characteristics of the 1-Hexanamine, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 8.9 °C; (14)Enthalpy of Vaporization: 36.54 kJ/mol; (15)Boiling Point: 131.8 °C at 760 mmHg; (16)Vapour Pressure: 9.12 mmHg at 25°C.
Production method of this chemical: The 1-Hexanamine, hydrochloride (1:1) could be obtained by the reactant of 2-hexyl-2-aza-bicyclo[2.2.1]hept-5-ene. This reaction needs the catalyst of CuSO4, and the solvent of aq. ethanol. The yield is 99 %. In addition, this reaction should be taken for 5 hours at the temperature of 70 °C.
Uses of this chemical: The 1-Hexanamine, hydrochloride (1:1) could react with 4-bromo-pyridine; hydrochloride, and obtain the hexyl-pyridin-4-yl-amine. This reaction should be taken for 3.5 hours at the temperature of 227 °C. The yield is 75 %.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.NCCCCCC
2.InChI: InChI=1/C6H15N.ClH/c1-2-3-4-5-6-7;/h2-7H2,1H3;1H
3.InChIKey: XKDUZXVNQOZCFC-UHFFFAOYAB