3-Pyridineethanamine, α-methyl- supplier

Name
1-METHYL-2-PYRIDIN-4-YL-ETHYLAMINE
EINECS 604-604-1
CAS No. 71271-61-9
Article Data10
CAS DataBase
Density 1.001 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂
Boiling Point 237.4 °C at 760 mmHg
Molecular Weight 136.197
Flash Point 118 °C
Transport Information
Appearance
Safety 26-45
Risk Codes 25-36
Molecular Structure
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;
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

: 3724-16-1
2-(pyridin-3-yl)acetamide

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

Conditions

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

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

: 3938-96-3
ethyl 2-methoxyacetate

A: 1292798-88-9
(S)-1-(3-pyridyl)propan-2-amine

B: 1292798-85-6
(R)-N-[1-(3-pyridyl)propan-2-yl]-2-methoxyacetamide

Conditions

Conditions	Yield
With lipase B from Candida antarctica In tetrahydrofuran at 30℃; for 4h; Inert atmosphere; Enzymatic reaction; optical yield given as %ee;	A 36% B 96%

...Expand

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

: 39668-87-6
2-isopropyl-5-methylcyclohexanecarbonyl chloride

(1R,2S,5R)-2-isopropyl-5-methyl-N-(1-(pyridin-3-yl)propan-2-yl)cyclohexanecarboxamide: 1254731-71-9
(1R,2S,5R)-2-isopropyl-5-methyl-N-(1-(pyridin-3-yl)propan-2-yl)cyclohexanecarboxamide

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran at 20℃; for 16h;

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

Product Name

1-METHYL-2-PYRIDIN-4-YL-ETHYLAMINE

Synthetic route

3-Pyridineethanamine, α-methyl- Specification

Related Products

Hot Products