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Chemical Structure| 40119-34-4 Chemical Structure| 40119-34-4

Structure of 40119-34-4

Chemical Structure| 40119-34-4

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Product Details of [ 40119-34-4 ]

CAS No. :40119-34-4
Formula : C11H13N
M.W : 159.23
SMILES Code : CC(C1=CC=C(C)C=C1)(C)C#N
MDL No. :MFCD11036610

Safety of [ 40119-34-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 40119-34-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 40119-34-4 ]

[ 40119-34-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 40119-34-4 ]
  • [ 20430-18-6 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In water; diethylene glycol; (2) Synthesis of 2-(4-Methylphenyl)-2-methylpropionic Acid A solution of 2-(4-methylphenyl)-2-methylpropionitrile (53.61 g), sodium hydroxide (40.4 g), diethylene glycol (160.8 ml) and water (60.6 ml) was refluxed for 18 hr. The reaction mixture was poured into water (3000 ml) and conc. hydrochloric acid (90 ml) was added. The generated crystals were collected by filtration to give the title compound (60.0 g) as pale-brown crystals, m.p.=78-81 C. 1H-NMR(CDCl3)δ: 1.57(6H, s), 2.32(3H, s), 7.14(2H, d, J=8.6 Hz), 7.28(2H, d, J=8.6 Hz). MS(EI): 178(M+).
With sulfuric acid; water; at 180℃; for 2h; Step B: Preparation of 2-Methyl-2-p-tolylpropanoic acid; [0742] 9M H2SO4 (65.0 mL) was added to 2-methyl-2-p- tolylpropanenitrile (6.21 g, 39.0 mmol). The reaction mixture was then heated at 1800C in a sealed tube for 2 hours. The reaction mixture was cooled to ambient temperature, diluted with 100 mL of diethyl ether, added to a separation funnel, washed with 5N HCl, partitioned with 5N NaOH (aqueous), washed 2 times with 20 mL of 5N NaOH (aqueous), and separated before the aqueous layer was acidified to pH = 3 with 3N HCl and extracted 3 times with 75 mL of diethyl ether, dried over Na2SO4, and concentrated in vacuo to give the title <n="170"/>compound (5.27 g) as brownish yellow amorphous solid. MS (m/z) = 180 (M+H)+.
  • 2
  • [ 40119-34-4 ]
  • [ 1201643-73-3 ]
YieldReaction ConditionsOperation in experiment
70% With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 2.0h;Reflux; To a solution of compound 2 (32 g, 0.2 mol) in CCl4 (300 ml) was added NBS (40 g, 0.22 mol) and AIBN (1.64 g, 0.01 mol). The reaction mixture was refluxed for 2h. After cooled to room <n="142"/>temperature, solid was removed by filtration. The filtrate was evaporated to dryness to give crude compound 3 (33 g, 70%) as yellow oil. MS (m/z) (M++H): 238, 240
 

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