685-88-1Relevant articles and documents
Infrared and Raman spectra, vibrational assignment, and ab initio calculations of fluoromalononitrile
Dakkouri,Grunvogel-Hurst,Guirgis, Gamil A.,Yu, Zhenhong,Jin, Yanping,Durig, James R.
, p. 2001 - 2012 (1997)
The infrared spectra (3500-80 cm-1) of gaseous and solid and the Raman spectra (3500-30 cm-1) of liquid with quantitative depolarization values and solid fluoromalononitrile, FHC(CN)2, have been recorded. These spectra have been interpreted in detail and a complete vibrational assignment is proposed based on infrared band contours, depolarization values, and relative infrared and Raman intensities. The assignment is supported by a normal coordinate calculation based upon force constants obtained from MP2/6-31G* ab initio calculations. Also, from these calculations the predicted infrared and Raman spectra have been obtained. The C-H bond distance is predicted to be 1.096 A from the isolated carbon-hydrogen stretching frequency. Optimized geometric parameters have been obtained from RHF/6-31G*, MP2/6-31G* and MP2/6-311 + + G** ab initio calculations. These results are discussed and compared with those obtained for some similar molecules.
Continuous synthesis method for 2-fluoroethyl malonate compound
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Paragraph 0039-0073; 0085-0114, (2019/11/20)
The invention discloses a continuous synthesis method for a 2-fluoroethyl malonate compound. The continuous synthesis method comprises the following steps: taking a formula shown in the description asa raw material, and carrying out a continuous decarbonylation reaction in continuous reaction equipment, thereby obtaining the 2-fluoroethyl malonate compound represented by a formula shown in the description, wherein R and R' separately represent straight-chain or branched alkyl, substituted or unsubstituted aryl or substituted or unsubstituted heterocycle or cyclic alkyl and are the same or different. According to the method, the high-temperature decarbonylation reaction of 2-fluoro-3-oxo-disuccinate is achieved by adopting the continuous reaction equipment. Compared with the traditional pot type reaction, the amount of materials participating in reaction in unit time is reduced greatly, so that a high-temperature hazardous area is reduced, and the security risk is greatly lowered.
METHOD FOR PRODUCING FLUOROMALONIC ESTER DERIVATIVE
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Paragraph 0021-0024, (2017/02/24)
PROBLEM TO BE SOLVED: To provide a method for producing a fluoromalonic ester derivative, useful as a raw material of electronic materials and as a synthetic intermediate of an agrochemical, which does not use or waste an expensive fluorinating agent and also has a short process. SOLUTION: A fluoromalonic ester derivative represented by a formula (2) is produced by reacting a malonic ester derivative with the 2-position modified with R3 with N-fluoro-bis(methanesulfonyl)imide in the presence of a Lewis acid. (R1 and R2 are each independently a methyl group, an ethyl group, a C3-4 linear, branched or cyclic alkyl group, a phenyl group, or a benzyl group; and R3 is H, a methyl group or an ethyl group.) SELECTED DRAWING: None COPYRIGHT: (C)2016,JPO&INPIT