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3-Pyridineethanamine, α-methyl-

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Name

3-Pyridineethanamine, α-methyl-

EINECS 604-604-1
CAS No. 71271-61-9 Density 1.001 g/cm3
PSA 38.91000 LogP 1.67160
Solubility N/A Melting Point N/A
Formula C8H12N2 Boiling Point 237.4 °C at 760 mmHg
Molecular Weight 136.197 Flash Point 118 °C
Transport Information N/A Appearance N/A
Safety 26-45 Risk Codes 25-36
Molecular Structure Molecular Structure of 71271-61-9 (1-METHYL-2-PYRIDIN-4-YL-ETHYLAMINE) Hazard Symbols T
Synonyms

1-(3-Pyridyl)-2-propylamine;Pyridine,3-(2-aminopropyl)- (7CI);1-pyridin-3-ylpropan-2-amine;1-(Pyridin-3-yl)propan-2-amine;

Article Data 10

3-Pyridineethanamine, α-methyl- Synthetic route

106508-04-7

(E)-3-(2-nitroprop-1-en-1-yl)pyridine

71271-61-9

(+/-)-1-(3-pyridyl)propan-2-amine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With lithium aluminium tetrahydride; diethyl ether
500-22-1

3-pyridinecarboxaldehyde

71271-61-9

(+/-)-1-(3-pyridyl)propan-2-amine

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

3-Pyridineethanamine, α-methyl- 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

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