1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]
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![1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene] structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e0b47aa3e8c1449f9b97de0c3601fe73.png "1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]")
1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]
structure -
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CAS No:
65294-20-4
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Formula:
C19H18F6
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Chemical Name:
1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]
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Synonyms:
Benzene,1,1′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethyl-;1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene];2,2-Bis(3,4-dimethylphenyl)hexafluoropropane
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CAS No:
1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene] Basic Attributes
360.33700
360.34
265-687-3
B2YCH6D3G6
DTXSID6070302
2903999090
1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene] Use and Manufacturing
In a 2000 ml glass bottle, 1000 g of tetrahydrofuran, 424 g of o-xylene, 60 g of p-toluenesulfonic acid were added, and the temperature was controlled below 40 ° C, and 400 g of hexafluoroacetone gas was slowly introduced. After heating to reflux for 12 hours, the temperature was lowered, washed with a saturated aqueous solution of NaHCO3 to pH = 7-8, 500 g of toluene was added, the layers were separated, and the organic phase was washed once again with pure water, and concentrated to give a solid, 1200 g of ethanol. Crystallization, wet product drying under vacuum at 40 ° C for 12 hours gave product 670 g, yield 93.1percent, GC purity 99.6percent, single impurity less than 0.1percent, all metal ions less than 1 ppm.Equipped with magnetic stirring, condenser, oil bath heating, Water separator 500mL three-necked flask was added hexafluoroacetone trihydrate 82g (0.372mol), o-xylene 90g (0.85mol), layered, Stirring, the reaction mixture was milky white, warmed to reflux temperature, Water separator out of water (water separator added about 40g o-xylene), Continue to heat reflux to the basic water separation, the reaction flask liquid colorless and transparent, O-xylene and hexafluoroacetone monohydrate mixture;The middle and lower water separator 16g, 12.3mL, density 1.30g / cm3, A small amount of hexafluoroacetone trihydrate separated.0.5 L of the above-obtained mixture of o-xylene and hexafluoroacetone monohydrate was addedThe autoclave, adding hydrogen fluoride hydrofluoric acid 111g (5.58mol), open stirring, Heated to 100 ° C for about 13h, the reaction pressure of about 8.9atm, after the reaction, Cooling, relieving pressure, purging nitrogen three times, exhaust gas water, caustic absorption, Open the kettle, the reaction mixture was poured into ice water with stirring, precipitated solid, filtered, About 100 g of a yellow solid was obtained. To invest in hexafluoroacetone trihydrate, The crude yield is about 75percent.After the crude product is dried, it is recrystallized from isopropanol, 86.4 g of white crystalline powder was obtained, The content of 2, 2-bis (3, 4-dimethylphenyl) hexafluoropropane is about 98.7percent.3.4 kg of ortho-xylene was put into a 10-liter stainless steel autoclave, 3.1 kg of anhydrous hydrogen fluoride was added, and 1 kg of TiClF
Benzene, 1,1'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethyl-: ACTIVE
Computed Properties
Molecular Weight:360.3
XLogP3:7.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:360.13126955
Monoisotopic Mass:360.13126955
Heavy Atom Count:25
Complexity:410
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]
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