N-Octylpyridin-4-amine supplier

Name
N-octylpyridin-4-amine
EINECS 265-019-0
CAS No. 64690-19-3
Article Data14
CAS DataBase
Density 0.947 g/cm³
Solubility
Melting Point 70-73 °C(Solv: hexane (110-54-3))
Formula C₁₃H₂₂N₂
Boiling Point 327.3 °C at 760 mmHg
Molecular Weight 206.331
Flash Point 151.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 24.92000
LogP 3.92700

Synthetic route

: 111-86-4
n-Octylamine

: 36316-71-9
2-chloropyridine hydrochloride

: 64690-19-3
4-(octylamino)pyridine

Conditions

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

: 7379-35-3
4-chlorpyridine hydrochloride

: 64690-19-3
4-(octylamino)pyridine

Conditions

Conditions	Yield
at 120 - 200℃; for 7h;	93%
With sodium hydroxide In water

: 111-86-4
n-Octylamine

: 19524-06-2
4-bromopyridine hydrochloride

: 64690-19-3
4-(octylamino)pyridine

Conditions

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%

: 504-24-5
4-aminopyridine

: 124-13-0
Octanal

: 64690-19-3
4-(octylamino)pyridine

Conditions

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

: 111-86-4
n-Octylamine

: 7379-35-3
4-chlorpyridine hydrochloride

: 64690-19-3
4-(octylamino)pyridine

Conditions

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%

: 4783-86-2
4-phenoxypyridine

: 142-95-0
n-octylamine hydrochloride

: 64690-19-3
4-(octylamino)pyridine

Conditions

Conditions	Yield
at 180 - 200℃; for 4h;	80%

: 626-61-9
4-Chloropyridine

: 111-86-4
n-Octylamine

: 64690-19-3
4-(octylamino)pyridine

Conditions

Conditions	Yield
With sodium hydroxide; water In 1,4-dioxane at 100℃; under 6000480 Torr; for 36h; Substitution;	80%

: 15854-87-2
4-iodopyridine

: 111-86-4
n-Octylamine

: 64690-19-3
4-(octylamino)pyridine

Conditions

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%

: 4-methyl-N-octyl-N-(pyridin-4-yl)benzenesulfonamide

: 64690-19-3
4-(octylamino)pyridine

Conditions

Conditions	Yield
With tetraethylammonium perchlorate; triethylamine In dimethyl sulfoxide at 20℃; for 9h; Electrolysis; Green chemistry;	79%

: 504-24-5
4-aminopyridine

: 629-27-6
1-Iodooctane

: 64690-19-3
4-(octylamino)pyridine

Conditions

Conditions	Yield
Stage #1: 4-aminopyridine With sodium amide In 1,4-dioxane Stage #2: 1-Iodooctane

: 504-24-5
4-aminopyridine

: 124-07-2
Octanoic acid

: 64690-19-3
4-(octylamino)pyridine

Conditions

Conditions	Yield
Stage #1: Octanoic acid With thionyl chloride; N,N-dimethyl-formamide In toluene at 110℃; for 3h; Stage #2: 4-aminopyridine With triethylamine In dichloromethane at 40℃; for 2h; Stage #3: With lithium aluminium tetrahydride In tetrahydrofuran at 66℃; for 6h;

: 18908-66-2
2-ethylhexyl bromide

: 64690-19-3
4-(octylamino)pyridine

: 103923-28-0
[1-(2-Ethyl-hexyl)-1H-pyridin-4-ylidene]-octyl-amine; hydrobromide

Conditions

Conditions	Yield
Heating;	94%

: 111-85-3
1-Chlorooctane

: 64690-19-3
4-(octylamino)pyridine

: 100227-05-2
N-<1-octyl-4(1H)-pyridinylidene>octanamine monohydrochloride

Conditions

Conditions	Yield
at 180℃; for 2h;	94%

: 111-85-3
1-Chlorooctane

: 7440-44-0
pyrographite

: 64690-19-3
4-(octylamino)pyridine

: 100227-05-2
N-<1-octyl-4(1H)-pyridinylidene>octanamine monohydrochloride

Conditions

Conditions	Yield
In dichloromethane	93%
In dichloromethane	93%

...Expand

: 111-25-1
1-bromo-hexane

: 64690-19-3
4-(octylamino)pyridine

: 103923-38-2
(1-Hexyl-1H-pyridin-4-ylidene)-octyl-amine; hydrobromide

Conditions

Conditions	Yield
Heating;	92%

: 2162-98-3
1,10-dichlorodecane

: 64690-19-3
4-(octylamino)pyridine

: 70775-75-6
octenidine dihydrochloride

Conditions

Conditions	Yield
In acetic acid butyl ester for 12h; Reflux;	85.1%
In N,N-dimethyl-formamide at 120 - 180℃;	39%
In water

: 100-44-7
benzyl chloride

: 64690-19-3
4-(octylamino)pyridine

: 103923-43-9
(1-Benzyl-1H-pyridin-4-ylidene)-octyl-amine; hydrochloride

Conditions

Conditions	Yield
Heating;	85%

: 111-83-1
1-bromo-octane

: 64690-19-3
4-(octylamino)pyridine

: N-(1-octyl-4(1H)-pyridinylidene)octanamine monohydrobromide

Conditions

Conditions	Yield
In tetrahydrofuran; ether-tetrahydrofuran	83%

: 2209-86-1
2,2-bis(chloromethyl)-1,3-propanediol

: 64690-19-3
4-(octylamino)pyridine

: 1,1-[2,2-bis(hydroxymethyl)propane-1,3-diyl]bis(4-octylaminopyridinium) dichloride

Conditions

Conditions	Yield
With 4-methyl-2-pentanone for 24h; Reflux;	71%

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 64690-19-3
4-(octylamino)pyridine

: 103923-46-2
[1-(4-Chloro-benzyl)-1H-pyridin-4-ylidene]-octyl-amine; hydrochloride

Conditions

Conditions	Yield
Heating;	43%

: 2473-01-0
1-Chlorononane

: 64690-19-3
4-(octylamino)pyridine

: 103923-37-1
Heptyl-(1-nonyl-1H-pyridin-4-ylidene)-amine; hydrochloride

Conditions

Conditions	Yield
Heating;	37%

: 64690-19-3
4-(octylamino)pyridine

: 98-59-9
p-toluenesulfonyl chloride

: 4-methyl-N-octyl-N-(pyridin-4-yl)benzenesulfonamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;

: 6299-37-2
1,3,5-tri(2-chloroethyl)-1,3,5-triazine-2,4,6-trione

: 64690-19-3
4-(octylamino)pyridine

: C48H78N9O3(3+)*3Cl(1-)

Conditions

Conditions	Yield
In butan-1-ol at 117℃; for 72h;

N-Octylpyridin-4-amine 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.

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 %.

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

Product Name

N-octylpyridin-4-amine

Synthetic route

N-Octylpyridin-4-amine Specification

Related Products

Hot Products