8-(2-(trimethylsilyl)ethanesulfonyl)-1,8,15-triazapentadecane
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With cesium fluoride In N,N-dimethyl-formamide at 100℃; | 46% |
N1,N13-diacetyl-1,13-diamino-7-azatridecane
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With hydrogenchloride for 2h; Heating; Yield given; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 78 percent / 24 h / 100 °C 2: Raney Ni / benzene / 7 h / Heating 3: 2N HCl / 2 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
mono-N-acetylhexamethylenediamine
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Raney Ni / benzene / 7 h / Heating 2: 2N HCl / 2 h / Heating View Scheme |
6-amino-1-hexanol
A
hexamethylene imine
B
1,6-Hexanediamine
C
6-(azepan-1-yl)hexan-1-amine
D
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With ammonia; hydrogen In tert-butyl alcohol at 220℃; under 120012 Torr; for 6h; | A 33 %Chromat. B 20.7 %Chromat. C n/a D n/a |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
6-amino-1-hexanol
A
hexamethylene imine
B
6-(azepan-1-yl)hexan-1-amine
C
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
6-amino-1-hexanol
A
6-(azepan-1-yl)hexan-1-amine
B
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
1,6-Hexanediamine
A
hexamethylene imine
B
6-(azepan-1-yl)hexan-1-amine
C
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With ammonia; hydrogen In tert-butyl alcohol at 220℃; under 120012 Torr; for 6h; |
hexamethylene imine
A
1,6-Hexanediamine
B
6-(azepan-1-yl)hexan-1-amine
C
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With ammonia; hydrogen In tert-butyl alcohol at 220℃; under 120012 Torr; for 6h; |
1,6-hexanediol
A
hexamethylene imine
B
1,6-Hexanediamine
C
6-(azepan-1-yl)hexan-1-amine
D
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With ammonia; hydrogen In tert-butyl alcohol at 220℃; under 120012 Torr; for 4.5h; Kinetics; Temperature; Pressure; Time; | A 31.9 %Chromat. B 38.4 %Chromat. C n/a D n/a |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 4.5 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 4.5 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
1,6-hexanediol
A
hexamethylene imine
B
6-(azepan-1-yl)hexan-1-amine
C
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 4.5 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 4.5 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 4.5 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 4.5 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 4 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 4: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
1,6-hexanediol
A
6-(azepan-1-yl)hexan-1-amine
B
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 4.5 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 4.5 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme | |
Multi-step reaction with 4 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 4: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
hexanedinitrile
A
hexamethylene imine
B
1,6-Hexanediamine
D
1-amino-5-cyanopentane
E
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With 1-butyl-3-methylimidazolium hydroxide; hydrogen In ethanol at 349.84℃; under 15001.5 Torr; for 6h; Reagent/catalyst; Temperature; Pressure; Time; Flow reactor; Sealed tube; Inert atmosphere; Ionic liquid; |
1,8,15-triazapentadecane
p-toluenesulfonyl chloride
N,N',N"-tritosyl-7-aza-tridecanetriamine
Conditions | Yield |
---|---|
With potassium carbonate In water at 70℃; for 24h; | 98% |
Conditions | Yield |
---|---|
95% | |
In toluene at 80℃; for 20h; Inert atmosphere; | 80% |
In toluene at 60℃; | |
In 5,5-dimethyl-1,3-cyclohexadiene at 80℃; for 8h; Inert atmosphere; |
Conditions | Yield |
---|---|
With ((CH3)3CCO)2O In further solvent(s) heating mixt. of 1 equiv. of triamine deriv., 5 equiv. of chromium compd., 1 equiv. of cobalt compd. and 6 equiv. of pivalic anhydride in pivalic acid at 160°C for 30 h; | 92% |
Conditions | Yield |
---|---|
With ((CH3)3CCO)2O In further solvent(s) heating mixt. of 1 equiv. of triamine deriv., 5 equiv. of chromium compd., 1 equiv. of nickel compd. and 6 equiv. of pivalic anhydride in pivalic acid at 160°C for 30 h; | 92% |
di-tert-butyl dicarbonate
1,8,15-triazapentadecane
di-tert-butyl (((tert-butoxycarbonyl)azanediyl)bis(hexane-6,1-diyl))dicarbamate
Conditions | Yield |
---|---|
In methanol for 12h; | 91% |
In dichloromethane for 12h; | 82% |
7-chloro-4-bromo-quinoline
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With potassium phosphate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In 1,4-dioxane; water at 120℃; for 14h; Sealed tube; Inert atmosphere; | 90% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 1h; Cooling with ice; | 86% |
Conditions | Yield |
---|---|
With 1,2,2,6,6-pentamethylpiperidine In N,N-dimethyl-formamide at 20℃; | 85% |
2,2,2-trichloro-1-(4-chloro-1H-pyrrol-2-yl)ethan-1-one
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 18h; Inert atmosphere; | 84% |
Conditions | Yield |
---|---|
With ((CH3)3CCO)2O In further solvent(s) heating mixt. of 1 equiv. of triamine deriv., 5 equiv. of chromium compd., 1 equiv. of manganese compd. and 6 equiv. of pivalic anhydride in pivalic acid at 160°C for 30 h; | 81% |
1,8,15-triazapentadecane
Glyoxilic acid
[6-(6-amino-hexylamino)-hexylamino]-acetic acid
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol at 20℃; | 80% |
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; methanol at 20℃; for 16h; | 80% |
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In methanol; acetonitrile at 50℃; for 5h; | 79% |
Conditions | Yield |
---|---|
Stage #1: 1,8,15-triazapentadecane; Deoxycholic acid With benzotriazol-1-ol; triethylamine In N,N-dimethyl-formamide at 0℃; for 0.166667h; Inert atmosphere; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 25℃; for 24h; Inert atmosphere; | 79% |
4,5-dibromopyrrol-2-yl trichloromethyl ketone
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 18h; Inert atmosphere; | 78% |
In tetrahydrofuran at 19℃; for 36h; | 68% |
Conditions | Yield |
---|---|
With triethylamine In chloroform | 75% |
Conditions | Yield |
---|---|
With ((CH3)3CCO)2O In further solvent(s) heating mixt. of 1 equiv. of triamine deriv., 5 equiv. of chromium compd., 1 equiv. of zinc compd. and 6 equiv. of pivalic anhydride in pivalic acid at 160°C for 30 h; | 75% |
1,8,15-triazapentadecane
N,N'-bis-Boc-S-methyl-isothiourea
Conditions | Yield |
---|---|
In tetrahydrofuran; methanol at 50℃; for 16h; | 74% |
Conditions | Yield |
---|---|
Stage #1: 1,8,15-triazapentadecane; cholic acid With benzotriazol-1-ol; triethylamine In N,N-dimethyl-formamide at 0℃; for 0.166667h; Inert atmosphere; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 25℃; for 24h; Inert atmosphere; | 72% |
1,8,15-triazapentadecane
1,1‘-(azanediylbis(hexane-6,1-diyl))diguanidine
Conditions | Yield |
---|---|
In ethanol; water at 20℃; for 16h; | 71% |
With hydrogen bromide; acetic acid In ethanol; water at 20℃; for 16h; | 71% |
1,6-Hexanediamine
hexan-1-amine
1,8,15-triazapentadecane
hexamethylene imine
Conditions | Yield |
---|---|
70% |
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; methanol at 20℃; for 16h; | 69% |
di-tert-butyl dicarbonate
1,8,15-triazapentadecane
N1-Boc-N6-(6-(Boc-amino)hexyl)hexane-1,6-diamine
Conditions | Yield |
---|---|
In methanol at -80℃; for 1h; | 68% |
Conditions | Yield |
---|---|
With ((CH3)3CCO)2O In further solvent(s) heating mixt. of 1 equiv. of triamine deriv., 5 equiv. of chromium compd., 1 equiv. of copper compd. and 6 equiv. of pivalic anhydride in pivalic acid at 160°C for 30 h; | 64% |
Conditions | Yield |
---|---|
Stage #1: 1,8,15-triazapentadecane; cholic acid With benzotriazol-1-ol; triethylamine In N,N-dimethyl-formamide at 0℃; for 0.166667h; Inert atmosphere; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 25℃; for 24h; Inert atmosphere; | 62% |
1,8,15-triazapentadecane
benzaldehyde
N1-benzyl-N6-(6-(benzylamino)hexyl)hexane-1,6-diamine
Conditions | Yield |
---|---|
Stage #1: 1,8,15-triazapentadecane; benzaldehyde In isopropyl alcohol at 0 - 20℃; for 2h; Stage #2: With hydrogen; palladium 10% on activated carbon In isopropyl alcohol under 1500.15 Torr; for 16h; | 61% |
2,6-bis-tert-butoxycarbonylamino-hexanoic acid
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
Stage #1: 2,6-bis-tert-butoxycarbonylamino-hexanoic acid With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide at 0℃; Stage #2: 1,8,15-triazapentadecane In dichloromethane; N,N-dimethyl-formamide for 48h; | 60% |
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In methanol; acetonitrile at 50℃; for 5h; | 57% |
Conditions | Yield |
---|---|
In isopropyl alcohol for 16h; Heating / reflux; | 52% |
The Bis(hexamethylene)triamine is an organic compound with the formula C12H29N3. The systematic name of this chemical is N-(6-aminohexyl)hexane-1,6-diamine. With the CAS registry number 143-23-7, it is also named as 1,6-Hexanediamine, N- (6-aminohexyl)-.
Physical properties about Bis(hexamethylene)triamine are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.12; (4)ACD/LogD (pH 7.4): -4.11; (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: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 9.72 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 68.3 cm3; (15)Molar Volume: 242.7 cm3; (16)Polarizability: 27.07×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 0.887 g/cm3; (19)Flash Point: 175.2 °C; (20)Enthalpy of Vaporization: 57.56 kJ/mol; (21)Boiling Point: 332.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000143 mmHg at 25°C.
Uses of Bis(hexamethylene)triamine: it can be used to produce N-trityl-N'-[6-(trityl-amino)-hexyl]-hexane-1,6-diamine. It will need reagent Et3N and solvent CHCl3. The yield is about 75%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: NCCCCCCNCCCCCCN
(2)InChI: InChI=1/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
(3)InChIKey: MRNZSTMRDWRNNR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
(5)Std. InChIKey: MRNZSTMRDWRNNR-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LDLo | skin | 200mg/kg (200mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI LIVER: OTHER CHANGES | National Technical Information Service. Vol. OTS0534833, |
rat | LD50 | oral | 450mg/kg (450mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI GASTROINTESTINAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0534833, |
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