Machine Learning in Chemistry about 98-17-9

Computed Properties of C7H5F3O. Welcome to talk about 98-17-9, If you have any questions, you can contact Zhang, LQ; Wang, YB; Shi, Y; Wu, YM; Lan, JB; Ma, WX; You, JS or send Email.

Computed Properties of C7H5F3O. Zhang, LQ; Wang, YB; Shi, Y; Wu, YM; Lan, JB; Ma, WX; You, JS in [Zhang, Luoqiang; Wang, Yanbing; Shi, Yang; Wu, Yimin; Lan, Jingbo; Ma, Weixin; You, Jingsong] Sichuan Univ, Coll Chem, Minist Educ, Key Lab Green Chem & Technol, 29 Wangjiang Rd, Chengdu 610064, Sichuan, Peoples R China published Highly Regio- and Chemoselective Oxidative C-H/C-H Cross-Couplings of Anilines and Phenols Enabled by a Co-Oxidant-Free Rh(I)/Zn(NTf2)(2)/Air Catalytic System in 2019, Cited 51. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9.

An urgent yet challenging task is to overcome the limitations in substrate scope and regio- and chemoselectivity in the oxidative couplings between two arenes for the construction of unsymmetrical 2,2′-difunctional biaryls with diverse application requirements. In this work, a co-oxidant-free Rh(I)/Zn(NTf2)(2)/air catalytic system has been developed for dual chelation-assisted oxidative C-H/C-H cross-couplings between two anilines, between two phenols, and between phenols and anilines, which enables rapid assembly of rich libraries of 2,2′-bianilines, 2,2′-biphenols, and 2′-aminobiphenyl-2-ols. This protocol features air as the sole oxidant, complete regioselectivity, high chemoselectivity, low molar ratio of substrates (even 1:1), convenient operation, and scale-up synthesis. The established catalytic system is tolerant of the substrates having both electron-donating and electron-withdrawing substituents at different positions of the aryl ring. This work further discloses that the chemoselectivity of cross-coupling over homocoupling mainly relies on a suitable combination of two directing groups (i.e., a pair of strongly and weakly coordinating directing groups) rather than the electronically distinct properties between two substrates, which provides an inspiration for designing the matching directing group pair for the dual chelation-assisted oxidative Ar-H/Ar-H cross-couplings. Thus, this strategy allows the highly chemoselective cross-coupling between electronically similar coupling partners, which represents a challenging task in the oxidative Ar-H/Ar-H cross-coupling reactions.

Computed Properties of C7H5F3O. Welcome to talk about 98-17-9, If you have any questions, you can contact Zhang, LQ; Wang, YB; Shi, Y; Wu, YM; Lan, JB; Ma, WX; You, JS or send Email.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles