Detail of "22059-22-9"

Reference

Ab initio calculation of protonation and lithiation energy of acetamidoxime

Ab initio calculation of protonation and lithiation energy of acetamidoxime. Ramusino, M. Cotta; La Manna, G.; Tomagnini, O. (Lab. Chim. Farm., Ist. Super. Sanita, Rome 00161, Italy). THEOCHEM, 86, 473-80 (English) 1992. CODEN: THEODJ. ISSN: 0166-1280. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) The interaction energy of acetamidoxime in its two tautomeric forms (the amino-oxime and the imino-hydroxylamino forms) with the H+ and Li+ cations was evaluated with self-consistent-field mol. 22059-22-9 and 117771-39-8 which are cas registry numbers of chemicals are mentioned.-orbital (SCF MO) calcns. at the 3-21 G and 6-31G** levels, after full geometry optimization of the resulting complexes. Particular attention was given to the evaluation by means of the counterpoise method of the basis-set-superposition error which affects the calcn. of the interaction energy. .

1,2,4-Oxadiazole derivatives

1,2,4-Oxadiazole derivatives. (Sumitomo Chemical Co., Ltd., Japan). Jpn. Kokai Tokkyo Koho JP 58210080 A2 7 Dec 1983 Showa, 7 pp. (Japanese). 22059-22-9 and 89570-41-2 are cas registry numbers. These chemicals are also mentioned in this article. (Japan). CODEN: JKXXAF. CLASS: IC: C07D413-12; A01N043-82. ICI: C07D413-12, C07D213-00, C07D271-00. APPLICATION: JP 82-95208 2 Jun 1982. DOCUMENT TYPE: Patent CA Section: 28 (Heterocyclic Compounds (More Than One Hetero Atom)) Section cross-reference(s): 5 1,2,4-Oxadiazole derivs. I (R = H, Me) were prepd. by reaction of II (X = halo) with H2NCR:NOH (III) and dehydrative cyclization of the resulting IV or by condensation reaction of V (X1 = halo) with 4-(5-trifluoromethyl-2-pyridyloxy)phenol. Thus, 0.74 g III (R = Me) to 3.46 g II (X = Cl) in CHCl3 at 10°, 1 g Et3N added over 5 min at 0-5°, the mixt. stirred 5 h at 23°, concd., and refluxed in PhMe 3 h to give 2.03 g I (R = Me). The latter compd. showed herbicidal activity at 20 g/acre. .