- BENZOYLUREA COMPOUNDS AND USE THEREOF
-
The present invention relates to a benzoylurea compound represented by formula (I): wherein, X and Y represent a fluorine atom or a chlorine atom, R1 represents a lower alkyl group or the like, R2 represents a lower alkyl group, R3 represents a halogen atom or the like, R4 represents an alkylthio group optionally substituted with one or more of halogen atoms, or a salt thereof, and use thereof for controlling pests and the like.
- -
-
Page/Page column 323-324
(2008/06/13)
-
- Electronic properties of para-substituted thiophonols and disulfides from 13C NMR spectroscopy and ab initio calculations: Relations to the Hammett parameters and atomic charges
-
A large number of para-substituted benzene thiols and the corresponding disulfides were synthesized and characterized by 1H NMR, 13C NMR, and IR spectroscopies. Geometrics of all sixteen thiols and fourteen disulfide compounds were optimized at the B3LYP/6-31G(d) level, while the electronic structure and the 13C isotropic shifts were calculated by ab initio Hartree-Fock method coupled with the Gauge-Independent Atomic Orbital (GIAO) algorithm and a 6-31+G(d,p) basis set. The calculated 13C NMR isotropic shifts exhibit admirable agreement (δ rmsd ~4.6 ppm) with the experimental data. The chemical shift of para-substituted carbon showed a linear correlation with Hammett constants (σp and σn+). Using this methodology the σp+ constants for the dendritic ligands have been estimated to be 0.25 and 0.24 for 2(n) and 2(o), respectively. In addition, the NBO charges on the sulfur atoms shows a latent response with the σp+ parameter. The atomic charge on the thiophenolato sulfur is invariant with the electron withdrawing ability of the substituents, however, the charge increases with increasing electron-withdrawing power.
- Sengar, Raghvendra S.,Nemykin, Victor N.,Basu, Partha
-
p. 1115 - 1123
(2007/10/03)
-
- Synthesis and evaluation of DNA-targeted spatially separated bis(aniline mustards) as potential alkylating agents with enhanced DNA cross-linking capability
-
DNA-targeted separated bis-mustards were synthesized by attaching aniline mono-mustards at the 4- and 9-positions of the DNA-intercalating ligand 9-aminoacridine-4-carboxamide, with the intention of improving the low cross-link to monoadduct ratio found w
- Gourdie,Prakash,Wakelin,Woodgate,Denny
-
p. 240 - 248
(2007/10/02)
-