87424-54-2Relevant academic research and scientific papers
Conformational interactions between a phenyl ring and a side-chain halide substituent: a 1H NMR and molecular mechanics study of some 2-aryl-1-halopropanes
Cook, Michael J.,Howe, Trevor J.
, p. 957 - 965 (2007/10/02)
1H NMR data are reported for a series of 2-aryl-1-halopropanes.Vicinal coupling constants in the CH2-CH-fragment show that the rotamer populations about the C-C bond are sensitive to para substituents.The ratio of anti-gauche aryl/halide conformers is greatest when the para substituent is the electron-donating ethyl group and least when it is the strongly electron-withdrawing nitro group.This points to a non-steric conformational interaction involving the ring and the sidechain heteroatom.Comparison of the empirical results with conformational preferences predictedfrom molecular mechanics calculations using the COSMIC force field suggests that the interaction serves to enhance the population of the anti arrangement.
N'-[4-(1-Fluoromethyl-ethyl)phenyl]-urea derivatives
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, (2008/06/13)
The invention provides novel phenylurea of formula I STR1 wherein R1 is H or CHO, R2 is H, CH3 or OCH3 R3 is a group G1 of the formula STR2 or a group G2 of the formula CH(CH3)CH2 Y in which Y is halogen selected from Cl or F or is CH3 O and X is H or halogen selected from Cl or Br, the use of these novel compounds as herbicides, compositions for facilitating such use and the preparation of the novel phenylurea.
