29118-25-0Relevant articles and documents
A structural, mechanistic, and kinetic study of the dehydrofluorination of 1,1,1,3,3-pentafluoropropane in the absence of catalyst
Jia, Xiaoqing,Lu, Fengniu,Qing, Feiyao,Quan, Hengdao,Ren, Yangyang
supporting information, (2021/07/31)
The catalyst-free dehydrofluorination of 1,1,1,3,3-pentafluoropropane (HFC-245fa) was investigated both experimentally and theoretically to elucidate the mechanism and kinetics of the reaction. The experimental results demonstrated easier generation of E-1,3,3,3-tetrafluoropropene (HFO-1234ze(E)) than HFO-1234ze(Z) under the same reaction conditions within a temperature range of 500–700 °C. When analyzing the geometry, energetics, and kinetic modeling of the reaction at the B3LYP/6?311++G (d,p) level of theory, it was found that the thermodynamic stability of HFO-1234ze(E) is relatively higher than its isomer (HFO-1234ze(Z). Besides, the rate constants of HFO-1234ze(E) were always larger than those of HFO-1234ze(Z) at 400–2000 K, which agreed well with the higher selectivity of HFO-1234ze(E) in the synthetic experiment results. Our theoretical demonstration provides a reference to investigate the mechanism and kinetics of other analogous reactions.
Preparation method of E-1, 3, 3, 3-tetrafluoropropene
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Paragraph 0036-0049; 0051-0058, (2021/05/19)
The invention discloses a preparation method of E-1, 3, 3, 3-tetrafluoropropene, which comprises the following steps: by taking 3, 3, 3-trifluoropropyne or/and an isomer 1, 3, 3-trifluoropropadiene thereof as a raw material, carrying out gas-phase selective fluorination reaction in the presence of a fluorination catalyst to obtain E-1, 3, 3, 3-tetrafluoropropene. The method provided by the invention is mainly used for producing E-1, 3, 3, 3-tetrafluoropropene in a high-efficiency and gas-phase continuous circulation manner.
Preparation method of E-1-halogen-3, 3, 3-trifluoropropene
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Paragraph 0058, (2021/05/01)
The invention discloses a preparation method of E-1-halogen-3, 3, 3-trifluoropropene. The preparation method comprises the following steps: in the presence of a block catalyst, carrying out gas-phase fluorination reaction on 1, 1, 1, 3, 3-pentachloropropane and hydrogen fluoride in a tubular reactor to obtain a main product E-1-chlorine-3, 3, 3-trifluoropropene and a small amount of product Z-1-chlorine-3, 3, 3-trifluoropropene; furthermore, in the presence of the block catalyst, E-1-chlorine-3, 3, 3-trifluoropropene or/and Z-1-chlorine-3, 3, 3-trifluoropropene and hydrogen fluoride are subjected to a gas-phase fluorination reaction in the tubular reactor, and a main product E-1, 3, 3, 3-tetrafluoropropene is obtained. The one-way yield of the method is high; especially for the second-step process, only HCl in the product flow in the first step needs to be removed, and the remaining substances can be directly used for fluorination reaction after new HF is added. The block catalyst has the characteristics of high activity and long service life.