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| CAS No.: | 696-30-0 |
|---|---|
| Name: | 4-Isopropylpyridine |
| Molecular Structure: | |
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|
|
| 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 |
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- 71825-51-92-methyl-2-(4-nitrophenyl)propanenitrile
- 17755-30-5
(pyridin-4-yl)-α-methylstyrene
- 696-30-0
4-s-propylpyridine
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In octane at 120℃; under 760.051 Torr; for 2h; Reagent/catalyst; Inert atmosphere; Schlenk technique; | 95 %Chromat. |
A
- 696-30-0
4-s-propylpyridine
B
- 25128-23-8
2,3-dimethyl-2,3-di-4-pyridylbutane
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With air In toluene Heating; | 80% |
- 696-30-0
4-s-propylpyridine
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile) In tetrahydrofuran for 20h; Heating; | 74% |
| Conditions | Yield |
|---|---|
| With ammonia; potassium amide anschliessend Behandeln mit Methylchlorid; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium amide; liquid ammonia 2: potassium amide; liquid ammonia / anschliessend Behandeln mit Methylchlorid View Scheme |
- 696-30-0
4-s-propylpyridine
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 1.16667h; Inert atmosphere; | 0.41 g |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With phosphorus; hydrogen iodide at 140℃; | |
| With phosphorus; hydrogen iodide at 150 - 160℃; |
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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.