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696-30-0

Basic Information
CAS No.: 696-30-0
Name: 4-Isopropylpyridine
Article Data: 36
Molecular Structure:
Molecular Structure of 696-30-0 (4-Isopropylpyridine)
Formula: C8H11N
Molecular Weight: 121.182
Synonyms: Pyridine,4-isopropyl- (6CI,7CI,8CI);4-(1-Methylethyl)pyridine;4-Isopropylpyridine;
EINECS: 211-794-5
Density: 0.913 g/cm3
Melting Point: -54.9°C
Boiling Point: 177.146 °C at 760 mmHg
Flash Point: 54.823 °C
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 12.89000
LogP: 2.20500
Synthetic route
17755-30-5

(pyridin-4-yl)-α-methylstyrene

696-30-0

4-s-propylpyridine

Conditions
ConditionsYield
With (bis-1,2-diphenylphosphinoethane)Co(CH2SiMe3)2; hydrogen In toluene at -196.15 - 25℃; under 3040.2 Torr; for 6h; Reagent/catalyst; Sealed tube;68%
With hydrogen; palladium(II) hydroxide/carbon In methanol; ethyl acetate at 20℃; for 41.5h;
19678-58-1

4-Isopropylpiperidine

696-30-0

4-s-propylpyridine

Conditions
ConditionsYield
In octane at 120℃; under 760.051 Torr; for 2h; Reagent/catalyst; Inert atmosphere; Schlenk technique;95 %Chromat.

2-bromo-2-(4-pyridyl)propane

A

696-30-0

4-s-propylpyridine

B

25128-23-8

2,3-dimethyl-2,3-di-4-pyridylbutane

Conditions
ConditionsYield
With chromium chloride; lithium borohydride In tetrahydrofuran at 25℃; for 15h; Yields of byproduct given;A n/a
B 64%
455258-20-5

2-(1-(methoxycarbonyl)-1,4-dihydropyridin-4-yl)-2-methylpropanoic acid

696-30-0

4-s-propylpyridine

Conditions
ConditionsYield
With air In toluene Heating;80%

1-(2,5-Dimethyl-pyrrol-1-yl)-4-isopropyl-1,4-dihydro-pyridine

696-30-0

4-s-propylpyridine

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In tetrahydrofuran for 20h; Heating;74%
536-75-4

4-Ethylpyridine

696-30-0

4-s-propylpyridine

Conditions
ConditionsYield
With ammonia; potassium amide anschliessend Behandeln mit Methylchlorid;
108-89-4

picoline

696-30-0

4-s-propylpyridine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium amide; liquid ammonia
2: potassium amide; liquid ammonia / anschliessend Behandeln mit Methylchlorid
View Scheme

1-(4-Isopropyl-4H-pyridin-1-yl)-ethanone

696-30-0

4-s-propylpyridine

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 1.16667h; Inert atmosphere;0.41 g
110-86-1

pyridine

75-30-9

2-iodo-propane

A

696-30-0

4-s-propylpyridine

B

644-98-4

2-isopropylpyridine

Conditions
ConditionsYield
at 200 - 240℃; for 16h; autoclave;A 7%
B 5%
at 300℃;
15031-78-4

2-(4-pyridyl)propan-2-ol

696-30-0

4-s-propylpyridine

Conditions
ConditionsYield
With phosphorus; hydrogen iodide at 140℃;
With phosphorus; hydrogen iodide at 150 - 160℃;
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  • 4-Isopropylpyridine cas  696-30-0

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Chemistry

IUPAC Name: 4-propan-2-ylpyridine 
Empirical Formula: C8H11N
Molecular Weight: 121.1717g/mol
EINECS: 211-794-5 
Structure of 4-Isopropylpyridine (CAS NO.696-30-0):

XLogP3: 2
H-Bond Donor: 0
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 121.089149
MonoIsotopic Mass: 121.089149
Topological Polar Surface Area: 12.9
Heavy Atom Count: 9
Formal Charge: 0
Complexity: 72.6 
Canonical SMILES: CC(C)C1=CC=NC=C1
InChI: InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3
InChIKey: FRGXNJWEDDQLFH-UHFFFAOYSA-N

Safety Profile

Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

Specification

  4-Isopropylpyridine , its cas register number is 696-30-0. It also can be called 4-(1-Methylethyl)pyridine ; 4-iso-Propylpyridine ; Pyridine, 4-(1-methylethyl)- . 4-Isopropylpyridine (CAS NO.696-30-0) is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin.