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| CAS No.: | 64690-19-3 |
|---|---|
| Name: | N-octylpyridin-4-amine |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C13H22N2 |
| Molecular Weight: | 206.331 |
| Synonyms: | N-octylpyridin-4-amine;4-(OCTYLAMINO)PYRIDINE;N-Octyl-4-pyridinamine;N-Octylpyridine-4-amine;N-oCLylpyridin-4-aMine;4-(Octylamino)pyridine/N-Octyl-4-pyridinamine |
| EINECS: | 265-019-0 |
| Density: | 0.947 g/cm3 |
| Melting Point: | 70-73 °C(Solv: hexane (110-54-3)) |
| Boiling Point: | 327.3 °C at 760 mmHg |
| Flash Point: | 151.7 °C |
| PSA: | 24.92000 |
| LogP: | 3.92700 |
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| Conditions | Yield |
|---|---|
| With (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine; sodium t-butanolate; palladium diacetate In 1,2-dimethoxyethane at 70℃; for 8h; | 93% |
- 142-95-0
n-octylamine hydrochloride
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4-chlorpyridine hydrochloride
- 64690-19-3
4-(octylamino)pyridine
| Conditions | Yield |
|---|---|
| at 120 - 200℃; for 7h; | 93% |
| With sodium hydroxide In water |
| Conditions | Yield |
|---|---|
| With sodium t-butanolate; palladium diacetate; (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine In 1,2-dimethoxyethane at 100℃; for 36h; | 93% |
| With [(CyPF-tBu)PdCl2]; sodium t-butanolate In 1,2-dimethoxyethane at 100℃; for 30h; Inert atmosphere; Sealed vial; | 88% |
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol at 70 - 90℃; under 2327.2 Torr; for 4.5h; | 88% |
| With palladium 10% on activated carbon; hydrogen In ethanol at 80℃; under 2625.26 Torr; Solvent; Pressure; Reagent/catalyst; | 74.1% |
| palladium |
| Conditions | Yield |
|---|---|
| With sodium t-butanolate; palladium diacetate; (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine In 1,2-dimethoxyethane at 90℃; for 24h; | 83% |
| With sodium fluoride at 130℃; for 2h; Large scale; | 78.5% |
| Conditions | Yield |
|---|---|
| at 180 - 200℃; for 4h; | 80% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; water In 1,4-dioxane at 100℃; under 6000480 Torr; for 36h; Substitution; | 80% |
| Conditions | Yield |
|---|---|
| With sodium t-butanolate; palladium diacetate; (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine In 1,2-dimethoxyethane at 100℃; for 48h; | 80% |
- 64690-19-3
4-(octylamino)pyridine
| Conditions | Yield |
|---|---|
| With tetraethylammonium perchlorate; triethylamine In dimethyl sulfoxide at 20℃; for 9h; Electrolysis; Green chemistry; | 79% |
| Conditions | Yield |
|---|---|
| Stage #1: 4-aminopyridine With sodium amide In 1,4-dioxane Stage #2: 1-Iodooctane |
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Specification
This chemical is called N-Octylpyridin-4-amine, and it can also be named as 4-pyridinamine, N-octyl-. With the molecular formula of C13H22N2, its molecular weight is 206.33. The CAS registry number of this chemical is 64690-19-3, and it is white crystal.
Other characteristics of the N-Octylpyridin-4-amine can be summarised as followings: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 2.21; (6)ACD/BCF (pH 7.4): 52.31; (7)ACD/KOC (pH 5.5): 13.37; (8)ACD/KOC (pH 7.4): 316.14; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 66.38 cm3; (15)Molar Volume: 217.6 cm3; (16)Polarizability: 26.31×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 0.947 g/cm3; (19)Flash Point: 151.7 °C; (20)Enthalpy of Vaporization: 56.96 kJ/mol; (21)Boiling Point: 327.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000204 mmHg at 25°C.
Production method of this chemical: The N-Octylpyridin-4-amine could be obtained by the reactants of pyridin-4-ylamine and octanal. This reaction needs the reagent of H2, the solvent of ethanol and the catalyst of 10percent Pd/C. The yield is 88 %. In addition, this reaction should be taken for 4.5 hours at the temperature of 70-90 °C.
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Uses of this chemical: The N-(1-octyl-4(1H)-pyridinylidene)octanamine monohydrochloride could be obtained by the reactants of N-Octylpyridin-4-amine and 1-chloro-octane. This reaction should be taken for 2 hours at the temperature of 180 °C. The yield is 94 %.
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You can still convert the following datas into molecular structure:
1.SMILES: n1ccc(NCCCCCCCC)cc1
2.InChI: InChI=1/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)
3.InChIKey: RHDWCSIBVZKRRU-UHFFFAOYAV