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Chemical Structure| 19091-08-8 Chemical Structure| 19091-08-8

Structure of 19091-08-8

Chemical Structure| 19091-08-8

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Product Details of [ 19091-08-8 ]

CAS No. :19091-08-8
Formula : C12H22O2
M.W : 198.30
SMILES Code : O=C(C1CCC(C(C)(C)C)CC1)OC

Safety of [ 19091-08-8 ]

Application In Synthesis of [ 19091-08-8 ]

* 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 [ 19091-08-8 ]

[ 19091-08-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 67-56-1 ]
  • [ 5451-55-8 ]
  • [ 19091-08-8 ]
YieldReaction ConditionsOperation in experiment
95% With sulfuric acid; for 72h;Reflux; 4-tert-Butylcyclohexanecarboxylic acid (203 g) was dissolved in methanol (630 g), and concentrated sulfuric acid (0.54 g) was added and the mixture was heated under reflux for 72 hours. The reaction solution was cooled to room temperature, 18 g of a 2.5 mass% sodium hydroxide / methanol mixed solution was added, and the solvent was distilled off from the reaction solution under reduced pressure. The obtained crude biological oil was purified by vacuum distillation to obtain 207 g of methyl 4-tert-butylcyclohexanecarboxylate as a colorless liquid (yield: 95%, isomer ratio: 76:24).
  • 2
  • [ 5451-55-8 ]
  • [ 19091-08-8 ]
YieldReaction ConditionsOperation in experiment
95% With sodium hydroxide; sulfuric acid; In methanol; Synthesis Example 1-1 Synthesis of methyl 4-tert-butylcyclohexanecarboxylate In 630 g of methanol was dissolved 203 g of <strong>[5451-55-8]4-tert-butylcyclohexanecarboxylic acid</strong>. The solution was combined with 0.54 g of conc. sulfuric acid and heated under reflux for 72 hours. The reaction solution was allowed to cool to room temperature, 13 g of 2.5 wt % sodium hydroxide/methanol mixture was added, and the solvent was distilled off in vacuum from the reaction solution. The crude oil was purified by vacuum distillation, obtaining 207 g of methyl 4-tert-butylcyclohexanecarboxylate as colorless liquid (yield 95%, isomer ratio 76:24). Boiling point: 106 C./1500 Pa 1H-HMR (600 MHz in DMSO-d6, for only major isomer): delta=0.78 (9H, s), 0.92-1.05 (3H, m, overlap with minor isomer 3H), 1.36-1.45 (2H, m), 1.53-1.60 25 (2H, m), 2.05-2.11 (2H, m), 2.63 (1H, m), 3.59 (1H, s) ppm IR (D-ATR): nu=2948, 2854, 1737, 1479, 1451, 1434, 1394, 1365, 1303, 1199, 1172, 1148, 1043, 1010, 988, 888, 842, 823, 782 cm-1
 

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