2-Chloro-1,3-dimethylbenzene

Clear colourless to light yellow liquid

7500 ml of 1, 2, 4-trichlorobenzene was placed in the reaction vessel.50g aluminum trichloride, Warming up to 190 ° C, 2280 g of phenyl 2, 6-dimethylchloroformate was added dropwise to the reaction kettle.Distilling 2, 6-dimethylchlorobenzene at the same time, The target product was obtained 1690g, The yield was calculated to be 96 to 97percent.A solution of pure bromo-2, 6-dimethylbenzene (3.22mL, 24.1mmol) in anhydrous t-BuOMe (41mL) was stirred at −70°C during the slow addition of t-BuLi (48.3mmol) in hexane (28.4mL), then kept at rt for 30min so as to destroy the byproduct t-BuBr, In a 1L four-neck bottle, Add 110.8 g of phenyl 2, 6-dimethylchloroformate, Add 110.8g of anhydrous aluminum trichloride, Warming up to 80 ° C, 554g (3. Omol) was added dropwise to the reaction system.Phenyl 2, 6-dimethyl chloroformate, After the addition, The reaction is exothermic, The temperature of the system gradually rises to 100~110 °C, Keep the temperature at 100~110 °C, After the addition is completed, Insulation for 3.0h, Sampling test, When the raw material remains 15~17percent, The target product 2, 6-dimethylchlorobenzene accounts for 40percent.2-Chlorotoluene accounts for 40percent.Adjust the vacuum to 20~25mbar, Collecting the top temperature of 80~85 °C is the target product 2, 6-dimethylchlorobenzene; the liquid fraction weighs 185g.Purity (GC) 99.0percent, The yield was 43.8percent.

Molecular Weight:140.61
XLogP3:3.3
Exact Mass:140.0392780
Monoisotopic Mass:140.0392780
Heavy Atom Count:9
Complexity:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes