Computed Properties of https://www.ambeed.com/products/91-40-7.html, Academic researchers, R&D teams, teachers, students, policy makers and the media all rely on us to share knowledge that is reliable, accurate and cutting-edge. 91-40-7, Name is 2-(Phenylamino)benzoic acid, SMILES is O=C(O)C1=CC=CC=C1NC2=CC=CC=C2, belongs to isothiazole compound. In a article, author is Duan, XG, introduce new discover of the category.
Activated allylic compounds react with trithiazyl trichloride, (NSCl),, to give 1,2,5-thiadiazoles 1 and isothiazoles 2. An allylic 2-substituent normally prevents formation of an aromatic 1,2,5-thiadiazole, and isothiazole formation becomes the major pathway. Simple allylic compounds are not very reactive towards (NSCl)(3) but a terminal electron withdrawing group (CO2Et) enhances the reactivity. With unsymmetrical allylic compounds, isothiazole formation is regiospecific placing the more electron withdrawing group adjacent to the ring sulfur. 1,3-Diketones give 3-acyl-1,2,5-thiadiazoles; unsymmetrical 1,3-diketones give these thiadiazoles regiospecifically, explicable by cyclisation of an intermediate onto the more reactive carbonyl group. 1,4-Diketones give 3,4-diacyl-1,2,5-thiadiazoles; thus 1,2-dibenzoyl-ethane, -ethene and -ethyne all give 3,4-dibenzoylthiadiazole (40-44%). Many of these trithiazyl trichloride reactions provide attractive one-step routes to 1,2,5-thiadiazoles and isothiazoles.
Computed Properties of https://www.ambeed.com/products/91-40-7.html, If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect. I hope my blog about 91-40-7 is helpful to your research.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com