3564-15-6 Purity
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Specification
Transition metal-catalyzed trifluoromethylation has emerged as a compelling strategy for the trifluoromethylation of organic molecules. For example, nickel(II) catalyzes the site-selective C-H bond trifluoromethylation of arylamines in water. In this transformation, a coordinated activation strategy was performed by utilizing picolinamide as a directing group, and the target product, such as acid red 266, was obtained in moderate to good yields.
Preparation of Acid Red 266 by Trifluoromethylation Method
· First, gram-scale synthesis of compound 3k was successful proceed under optimum conditions, and the target product was acquired in 61% yield.
· Second, the hydrolysis reaction was carried out in the presence of hydrochloric acid, and 4-chloro-2- (trifluoromethyl)aniline was obtained in 88% yield and 2- picolinic acid was recovered in 85% yield.
· Finally, successive diazotization, C-N coupling, and salt-forming reactions gave rise to the desired product 5 in 64% yield, thus providing a feasible pathway to the green, concise synthesis of acid red 266.
Acid red 266 can form nematic (N) and hexagonal (H) mesophases, and has a cross-section equivalent to 6 to 8 molecules and may have a "water-filled pipe" structure.
Formation of Acid Red 266 Colored Liquid Crystal
· A large quantity of acid red 266 (>50 g) was dissolved/ dispersed in water whilst heating and continually stirring with a mechanical stirrer until a high viscosity mesophase was obtained.
· After cooling, absolute ethanol was then carefully added and eventually solid dye could be seen to be forming. This could be observed macroscopically - the color of the system changed from dark red/black to dark brown/maroon indicating that insoluble solid dye was now present- and also microscopically-optical microscopy clearly indicated a two-phase region with threads of solid dye in isotropic solution.
· With continual stirring more ethanol was slowly added until it was estimated that the maximum amount of solid dye was now out of solution. The solid dye was then immediately filtered to avoid ethanol evaporation.
· The solid dye was then re-dissolved in water and the whole process repeated twice more. Finally, the solid dye was dried in a vacuum oven, in order to remove any excess water and ethanol.
The molecular formula of Tracid Red 2bs is C17H11ClF3N3NaO4S.
Tracid Red 2bs was created on January 25, 2019.
The computed molecular weight of Tracid Red 2bs is 468.8 g/mol.
One synonym for Tracid Red 2bs is TRACID RED 2BS.
The InChI value is InChI=1S/C17H11ClF3N3O4S.Na/c18-9-2-4-13(11(6-9)17(19,20)21)23-24-16-12(22)3-1-8-5-10(29. The InChIKey is YNUGLCBUZUXXET-UHFFFAOYSA-N.
The CAS number for Tracid Red 2bs is 57741-47-6.
The hydrogen bond donor count for Tracid Red 2bs is 3.
There are 10 hydrogen bond acceptors in Tracid Red 2bs.
The topological polar surface area of Tracid Red 2bs is 134.2.
Yes, Tracid Red 2bs is considered a canonicalized compound.
The molecular formula of Tracid Red 2bs is C17H11ClF3N3NaO4S.
Tracid Red 2bs was first created on January 25, 2019, and modified on December 23, 2023.
The InChIKey of Tracid Red 2bs is YNUGLCBUZUXXET-UHFFFAOYSA-N.
Tracid Red 2bs has 3 Hydrogen Bond Donor Counts.
The exact mass of Tracid Red 2bs is 468.0008585 g/mol.
Tracid Red 2bs has 0 defined atom stereocenter counts.
Tracid Red 2bs has 3 rotatable bond counts.
Yes, Tracid Red 2bs is considered to be a canonicalized compound.
The molecular weight of Tracid Red 2bs is 468.8 g/mol.
The molecular formula of Acid red 266 is C17H10ClF3N3NaO4S.
The synonyms of Acid red 266 are 57741-47-6, ACID RED 266, Sodium 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate, and more.
Acid red 266 was created on January 15, 2019.
The InChIKey of Acid red 266 is GVLHHJPRNMDLLL-UHFFFAOYSA-M.
The molecular weight of Acid red 266 is 467.8 g/mol.
The Canonical SMILES of Acid red 266 is C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)[O-])O)N=NC3=C(C=C(C=C3)Cl)C(F)(F)F)N.[Na+].
Acid red 266 has 2 hydrogen bond donor counts.
The topological polar surface area of Acid red 266 is 137Ų.
Acid red 266 has 10 hydrogen bond acceptor counts.
The complexity value of Acid red 266 is 724.