| Identification | More | [Name]
4-Isopropylpyridine | [CAS]
696-30-0 | [Synonyms]
4-ISOPROPYLPYRIDINE
4-(1-methylethyl)-pyridin
4-(1-Methylethyl)pyridine
4-(1-methylethyl)-pyridine
Pyridine, 4-(1-methylethyl)-
Isopropylpyridine,98%
gamma-Isopropylpyridine
4-ISOPROPYLPYRIDINE (GAMMA-) 98+%
4-isopropyl puridine | [EINECS(EC#)]
211-794-5 | [Molecular Formula]
C8H11N | [MDL Number]
MFCD00039719 | [Molecular Weight]
121.18 | [MOL File]
696-30-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Liquid. Solubility in 100 g, 19.4 g at
20C. | [Melting point ]
-54.9°C | [Boiling point ]
178 °C | [density ]
0,93 g/cm3 | [refractive index ]
1.4940 to 1.4970 | [Fp ]
66°C | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
clear liquid | [pka]
pK1:6.02(＋1) (25°C) | [color ]
Colorless to Almost colorless | [InChI]
InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3 | [InChIKey]
FRGXNJWEDDQLFH-UHFFFAOYSA-N | [SMILES]
C1=NC=CC(C(C)C)=C1 | [LogP]
2.330 (est) | [CAS DataBase Reference]
696-30-0(CAS DataBase Reference) | [NIST Chemistry Reference]
4-(i-C3H7)-C5H4N(696-30-0) | [EPA Substance Registry System]
696-30-0(EPA Substance) |
| Questions And Answer | Back Directory | [Preparation]
The preparation of 4-isopropylpyridine is as follows:
1) At 0 °C, 11.0 mL of n-BuLi (1.6 M hexane solution) was added dropwise over 20 minutes to a mixture of 5.1 g (14.3 mmol) Ph3PhCH3Br in 25 mL THF under stirring. After 1 hour, 1.5 g (12.8 mmol) of 1-(pyridin-4-yl)acetone was added to 20 mL of THF. The mixture was stirred at 0 °C for 1 hour, and then stirred at room temperature for 50 minutes. The mixture was filtered through a Buchner funnel. Saturated NH4Cl and H2O were added to separate the layers. The organic layer was washed with brine, dried with Na2SO4, filtered, and concentrated. Purification by rapid silica gel chromatography (54% EtOAc/hexane) yielded isopropylpyridine as a pale yellow liquid. 2) At room temperature, a mixture of 4-(prop-1-en-2-yl)pyridine and 342 mg of 20% Pd(OH)₂ in 15 mL of LEtOAc and 10 mL of MeOH was stirred under an H₂ balloon. After 24 hours, 305 mg of 20% Pd(OH)₂ was added. After 6 hours, the mixture was filtered through diatomaceous earth, and the solution was concentrated. The crude product was dissolved in 15 mL of MeOH, and 512 mg of 20% Pd(OH)₂ was added. The mixture was stirred under an H₂ balloon at room temperature for 11.5 hours, filtered through diatomaceous earth, and concentrated to obtain 4-isopropylpyridine. | [Uses]
4-Isopropylpyridine serves as a reagent in the synthesis of Bis(alkylpyridinium) with antifungal and cytotoxic properties. |
| Safety Data | Back Directory | [Risk Statements ]
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 ]
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 . | [TSCA ]
TSCA listed | [HS Code ]
2933.39.9200 |
|
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Energy Chemical
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www.energy-chemical.com |
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Shanghai Ennopharm Co., Ltd.
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