ChemicalBook CAS DataBase List 1,3-Bis(trifluoromethyl)-benzene

1,3-Bis(trifluoromethyl)-benzene synthesis

10synthesis methods

Product Name:1,3-Bis(trifluoromethyl)-benzene
CAS Number:402-31-3
Molecular formula:C8H4F6
Molecular Weight:214.11

121-91-5
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402-31-3
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Yield:402-31-3 93 %Spectr.

Reaction Conditions:

with phenylsulphur trifluoride at 100; for 2 h;Inert atmosphere;Neat (no solvent);

Steps:

4.7.1. Fluorination of carboxylic acids in a sealed reactor

A typical procedure: 132 mg (1.08 mmol) of benzoic acid was added portion by portion to 448 g (2.7 mmol) of 2a in a fluoropolymer (PTFE or FEP) tube (i.d. 5/16''; o.d. 3/8''), the end of which was sealed, at room temperature. Immediately after the addition, the other end of the tube was sealed. When the two reactants were mixed, a mild exothermic reaction occurred. The sealed tube was heated for 2 h in an oil bath of 100 °C. After that, the tube was cooled to room temperature and opened. 19F NMR analysis of the reaction mixture showed that benzotrifluoride was produced in 90% yield.

References:

Umemoto, Teruo;Singh, Rajendra P. [Journal of Fluorine Chemistry,2012,vol. 140,p. 17 - 27] Location in patent:experimental part