Abstract: The first derivatives of 3H-pyrrol-4-amines spiro-fused with fluorene or anthrone were synthesized in a Rh2(OAc)4-catalyzed reaction of 1-sulfonyl-1,2,3-triazoles with 2H-azirines. The reaction proceeds through 1,4-diazahexa-1,3,5-triene intermediates, which under the conditions employed cyclize to stable at room temperature 1,2-dihydropyrazines. At elevated temperatures, 1,2-dihydropyrazines are in ring-chain equilibrium with 1,4-diazahexa-1,3,5-trienes, which undergo irreversible 5-exo-trig cyclization, leading to spirocyclic derivatives of 3H-pyrrol-4-amine.

Abstract: Diarylidene acetones (DAA) (1-5) had been prepared by the condensation of acetone with substituted benzaldehydes via Claisen-Schmidt reaction, DAA’s brought to condense with anthrone to afford the title compounds (6-10) through Michael addition. The structures of the products were suggested in the light of spectral data (UV, IR, 1H&13C-NMR).

Abstract: Disclosed are a compound using anthrone as a core and applications thereof. The compound uses anthrone as a parent core, which is connected to an aromatic heterocyclic group, so that the molecular symmetry is destroyed, the molecular crystallinity is destroyed, the aggregation effect among the molecules is avoided, and the compound has a good film forming property. The compound serving as a luminescent layer material is used on an organic light-emitting diode, and the OLED component using the compound has good photoelectric performance and can satisfy requirements of a panel manufacturing enterprise.

Abstract: Disclosed are a compound using anthrone as a core and applications thereof in an organic electroluminescent component. The compound uses anthrone as a parent core, which is connected to an aromatic heterocyclic group, so that the molecular symmetry is destroyed, the molecular crystallinity is destroyed, the aggregation effect among the molecules is avoided, and the compound has a good film forming property. The compound serving as a luminescent layer material is used on an organic light-emitting diode, and the OLED component using the compound has good photoelectric performance and can satisfy requirements of a panel manufacturing enterprise.

Abstract: The invention provides a method for synthesizing 9-anthrone lactone compounds catalyzed by ion liquid The method comprises the following steps of using 1-hydroxy anthrone compound as the starting rawmaterial, and performing Knoevenagel cyclic condensation reaction with beta-keto ester in the ion liquid under the action of alkaline, so as to generate the 9-anthrone lactone compound by one step The synthesizing method has the advantages that the reaction steps are simple, the conditions are mild, the post-treatment is convenient, the suitability is broad, and the synthesized 9-anthrone lactone compound can be applied to develop novel anti-tumor medicines

Abstract: The invention discloses a pyridine anthrone disperse dye, a preparation method and an application thereof. According to the invention, 1-nitroanthraquinone and 2,6-dibromo-p-methylaniline are taken asinitial raw materials, and are subjected to condensation, acylation, ring formation, bromination, and secondary condensation to obtain a target product; and the pyridine anthrone disperse dye is usedfor dyeing polyester fibers and blended fabric. The pyridine anthrone disperse dye belongs to the novel structured dye, and has good application effect on the polyester fibers and the blended fabricdue to its properties.

Abstract: The invention provides a method for the preparation of 10, 10-bisubstituted-3-bromo anthrone, and belongs to the field of organic chemistry According to the method, phthalic anhydride and bromobenzene are used as raw materials, the raw materials are sequentially subjected to a ring opening reaction, a reduction reaction, an esterification reaction, a tert alcoholization reaction, a cyclization reaction and an oxidation reaction, and 10, 10-bisubstituted-3-bromo anthrone is obtained The raw materials in the method are cheap and easily obtained, reaction conditions are simple, and the tolerance to a bromine-containing functional group is good

Abstract: The invention provides a synthesis method of emodin anthrone, and solves the problems that by the conventional technology, relatively serious damage is caused to the environment and large-scale production cannot be carried out. According to the synthesis method, emodin is used as a starting material, and high-purity emodin anthrone is obtained through reduction of a palladium carbon catalyst and ammonium formate system; the process route is simple; the yield is high; raw materials can be repeatedly used and easy to recycle, so that the production cost is greatly reduced; the synthesis method is very friendly to the environment, and is suitable for industrial production.

Abstract: The invention relates to a polyetherimide containing anthrone and trifluoromethyl structure and a preparation method thereof. The method comprises the following steps: taking fluorenone, protochloride, sulfone, phenol, and 2-chloro-5-nitrotrifluorotoluene as main raw materials, sequentially performing one-pot, two-step condensation, nucleophilic substitution and reduction reaction to obtain novelaromatic diamine monomer-9,9-bis[4-(4-amino-2-trifluoromethyl phenoxyl) phenyl]anthracene-10(9H)-ketone; performing low-temperature polycondensation with aromatic dianhydride to obtain corresponding polyether amic acid, forming a film and performing heating cyclisation to obtain polyetherimide. The polyetherimide of the present invention has a large volume of an anthrone structure, an ether bond,and a trifluoromethyl side group introduced into the molecular main chain, and has excellent heat resistance, light transmittance, film formability, and low dielectric constant, can be dissolved in some organic solvents, can be used as a novel high-performance organic polymer material, and has potential application prospects in high-tech fields such as aerospace and microelectronics.

Abstract: This dataset contains geometries and optimized PM7 COSMO energies for a set of quinones and their corresponding anthrone forms. The smiles strings in this set are given in the .csv file.
1. Files are grouped into two batches: Initial conformer generation and PM7 COSMO optimization of these conformers. Each of these is compressed into the corresponding tar.gz file.
2. Once unzipped, the directories contain the inchikey of the molecule, which can be found in the .csv file for a given smiles. The numbers in the directories are a product job orchestration software that managed the submission and archiving of these calculations and does not have any meaning. The set2_ prefix is to avoid directory clashes upon export and also does not have any meaning.
3. Once unzipped, the conformer files take up about 330 MB in total and the PM7 COSMO files take up 605 MB of space.
4. Each conformer directory contains a .smi file containing the smiles of the molecule and between 1 and 20 .xyz files that are the lowest energy conformers of the molecule found using RDKit.
5. Each PM7 COSMO directory contains the input and archive file for the MOPAC calculation. The calculated values in the .csv file are based on the lowest energy conformers found at the PM7 COSMO level of theory. The relative anthrone reaction energy is reported in units of eV and the voltage vs. DHAQ is reported in V.
6. The tabulated half cell potentials in the .csv file were calculated in the following paper: doi.org/10.26434/chemrxiv.6990053.v2. Note that all possible anthrone forms were considered, so the directories contain some calculations for molecules that are not ultimately plotted in the text as they are higher energy anthrone forms.