CAS No.71271-61-9,1-METHYL-2-PYRIDIN-4-YL-ETHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71271-61-9
Name:	1-METHYL-2-PYRIDIN-4-YL-ETHYLAMINE
Article Data:	10

Formula:	C₈H₁₂N₂
Molecular Weight:	136.197
Synonyms:	1-(3-Pyridyl)-2-propylamine;Pyridine,3-(2-aminopropyl)- (7CI);1-pyridin-3-ylpropan-2-amine;1-(Pyridin-3-yl)propan-2-amine;
EINECS:	604-604-1
Density:	1.001 g/cm³
Boiling Point:	237.4 °C at 760 mmHg
Flash Point:	118 °C
Hazard Symbols:	T
Risk Codes:	25-36
Safety:	26-45
PSA:	38.91000
LogP:	1.67160

Synthetic route

: 106508-04-7
(E)-3-(2-nitroprop-1-en-1-yl)pyridine

: 71271-61-9
(+/-)-1-(3-pyridyl)propan-2-amine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran for 12h; Inert atmosphere; Reflux;	33%

: 6302-03-0
1-(pyridin-3-yl)-2-propanone

: 540-69-2
ammonium formate

: 71271-61-9
(+/-)-1-(3-pyridyl)propan-2-amine

Conditions

Conditions	Yield
at 160 - 170℃; Erhitzen des Reaktionsgemisches mit verd. wss. HCl;

: 34672-31-6
[3]pyridyl-acetone oxime

: 71271-61-9
(+/-)-1-(3-pyridyl)propan-2-amine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether

: 3156-53-4
2-nitro-1-(3-pyridinyl)-1-propene

A: 71271-61-9
(+/-)-1-(3-pyridyl)propan-2-amine

B: 34672-31-6
[3]pyridyl-acetone oxime

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether

: 500-22-1
3-pyridinecarboxaldehyde

: 71271-61-9
(+/-)-1-(3-pyridyl)propan-2-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: butylamine 2: LiAlH4; diethyl ether View Scheme
Multi-step reaction with 3 steps 1: butylamine 2: LiAlH4; diethyl ether 3: LiAlH4; diethyl ether View Scheme
Multi-step reaction with 3 steps 1: butylamine 2: lithium alanate; diethyl ether 3: LiAlH4; diethyl ether View Scheme
Multi-step reaction with 2 steps 1: ammonium acetate / 6 h / Reflux 2: lithium aluminium tetrahydride / tetrahydrofuran / 12 h / Inert atmosphere; Reflux View Scheme

: 3156-53-4
2-nitro-1-(3-pyridinyl)-1-propene

: 71271-61-9
(+/-)-1-(3-pyridyl)propan-2-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: LiAlH4; diethyl ether 2: LiAlH4; diethyl ether View Scheme
Multi-step reaction with 2 steps 1: lithium alanate; diethyl ether 2: LiAlH4; diethyl ether View Scheme
With lithium aluminium tetrahydride In diethyl ether at 20℃; Heating / reflux;

: 6443-85-2
3-pyridinylacetonitrile

: 71271-61-9
(+/-)-1-(3-pyridyl)propan-2-amine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ethanolic sodium ethylate solution 2: hydrobromic acid; water 3: 160 - 170 °C / Erhitzen des Reaktionsgemisches mit verd. wss. HCl View Scheme

: 501-81-5
pyridyl-3-yl-acetic acid

: 71271-61-9
(+/-)-1-(3-pyridyl)propan-2-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium acetate 2: 160 - 170 °C / Erhitzen des Reaktionsgemisches mit verd. wss. HCl View Scheme

: 39931-77-6
pyridin-3-yl-acetic acid ethyl ester

: 71271-61-9
(+/-)-1-(3-pyridyl)propan-2-amine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: concentrated aqueous NH3 2: POCl3; NaCl; 1,2-dichloroethane 3: ethanolic sodium ethylate solution 4: hydrobromic acid; water 5: 160 - 170 °C / Erhitzen des Reaktionsgemisches mit verd. wss. HCl View Scheme

: 90417-12-2
2-[3]pyridyl-acetoacetonitrile

: 71271-61-9
(+/-)-1-(3-pyridyl)propan-2-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrobromic acid; water 2: 160 - 170 °C / Erhitzen des Reaktionsgemisches mit verd. wss. HCl View Scheme

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Specification

The 3-Pyridineethanamine, α-methyl-, with the CAS registry number 71271-61-9, has the systematic name of 1-pyridin-3-ylpropan-2-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₁₂N₂.

The characteristics of 3-Pyridineethanamine, α-methyl- are as followings: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.79; (4)ACD/LogD (pH 7.4): -1.48; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 16.13 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 42.02 cm³; (15)Molar Volume: 136 cm³; (16)Polarizability: 16.65×10^-24cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.001 g/cm³; (19)Flash Point: 118 °C; (20)Enthalpy of Vaporization: 47.43 kJ/mol; (21)Boiling Point: 237.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0449 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1cccc(c1)CC(N)C
(2)InChI: InChI=1/C8H12N2/c1-7(9)5-8-3-2-4-10-6-8/h2-4,6-7H,5,9H2,1H3
(3)InChIKey: PUEWSNLDTZQXLN-UHFFFAOYAM