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Computed Properties of C13H8O2. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Hanashima, M; Matsumura, T; Asaji, Y; Yoshimura, T; Matsuo, J or concate me.

In 2020.0 CHEM PHARM BULL published article about TANDEM WESSELY OXIDATION; CYCLOADDITION; ALKALOIDS; ADDITIONS in [Hanashima, Mika; Matsumura, Toshiki; Asaji, Yuta; Yoshimura, Tomoyuki; Matsuo, Jun-ichi] Kanazawa Univ, Grad Sch Med Sci, Div Pharmaceut Sci, Kakuma Machi, Kanazawa, Ishikawa 9201192, Japan in 2020.0, Cited 40.0. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9. Computed Properties of C13H8O2

Regioselectivity for intramolecular Diels-Alder (IMDA) reactions of 6-acetoxy-6-alkenylcyclohexa-2,4-dien-1-ones that were formed by oxidation of 2-alkenylphenols with lead tetraacetate in acetic acid were studied. Bridged regioselectivity was observed in the IMDA reactions of 6-acetoxy-6-alkenylcyclohexa-2,4-dien-1-ones having a dienophile part which could conjugate with an aromatic group. Bridged seven-and eight-membered rings and bicyclo[2.2.2]octane skeletons were constructed by the present IMDA reactions. Density functional theory (DFT) calculations suggested that conjugation of the dienophile with neighboring aromatic groups lowered the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energy gap and preceded bridged [4 + 2] adducts.

Computed Properties of C13H8O2. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Hanashima, M; Matsumura, T; Asaji, Y; Yoshimura, T; Matsuo, J or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Search for chemical structures by a sketch :6H-Benzo[c]chromen-6-one

About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Vriza, A; Canaj, AB; Vismara, R; Cook, LJK; Manning, TD; Gaultois, MW; Wood, PA; Kurlin, V; Berry, N; Dyer, MS; Rosseinsky, MJ or concate me.. HPLC of Formula: C13H8O2

An article One class classification as a practical approach for accelerating pi-pi co-crystal discovery WOS:000617028900011 published article about CHARGE-TRANSFER; ORGANIC COCRYSTALS; MOLECULAR-COMPLEX; DESIGN; ANTHRACENE; PYRENE; WILL in [Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Cook, Laurence J. Kershaw; Manning, Troy D.; Gaultois, Michael W.; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Dept Chem, 51 Oxford St, Liverpool L7 3NY, Merseyside, England; [Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Cook, Laurence J. Kershaw; Manning, Troy D.; Gaultois, Michael W.; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Mat Innovat Factory, 51 Oxford St, Liverpool L7 3NY, Merseyside, England; [Vriza, Aikaterini; Gaultois, Michael W.; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Leverhulme Res Ctr Funct Mat Design, Oxford St, Oxford, England; [Wood, Peter A.] Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England; [Kurlin, Vitaliy] Univ Liverpool, Dept Comp Sci, Mat Innovat Factory, Liverpool L69 3BX, Merseyside, England in 2021.0, Cited 81.0. HPLC of Formula: C13H8O2. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9

The implementation of machine learning models has brought major changes in the decision-making process for materials design. One matter of concern for the data-driven approaches is the lack of negative data from unsuccessful synthetic attempts, which might generate inherently imbalanced datasets. We propose the application of the one-class classification methodology as an effective tool for tackling these limitations on the materials design problems. This is a concept of learning based only on a well-defined class without counter examples. An extensive study on the different one-class classification algorithms is performed until the most appropriate workflow is identified for guiding the discovery of emerging materials belonging to a relatively small class, that being the weakly bound polyaromatic hydrocarbon co-crystals. The two-step approach presented in this study first trains the model using all the known molecular combinations that form this class of co-crystals extracted from the Cambridge Structural Database (1722 molecular combinations), followed by scoring possible yet unknown pairs from the ZINC15 database (21 736 possible molecular combinations). Focusing on the highest-ranking pairs predicted to have higher probability of forming co-crystals, materials discovery can be accelerated by reducing the vast molecular space and directing the synthetic efforts of chemists. Further on, using interpretability techniques a more detailed understanding of the molecular properties causing co-crystallization is sought after. The applicability of the current methodology is demonstrated with the discovery of two novel co-crystals, namely pyrene-6H-benzo[c]chromen-6-one (1) and pyrene-9,10-dicyanoanthracene (2).

Continuously updated synthesis method about 6H-Benzo[c]chromen-6-one

Some common heterocyclic compound, 2005-10-9, name is 6H-Benzo[c]chromen-6-one, molecular formula is C13H8O2, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route. Quality Control of 6H-Benzo[c]chromen-6-one

4′-Bromo-N,N-diphenyl-[1,1′-biphenyl]-4-amine 8 (1.60 g,4.00 mmol) was dissolved in 25 mL of anhydrous THF in an oven dried round bottom flask. The solution was cooled to 78 C in a dry ice/acetone bath and sparged with Ar for 20 min. 2.5 M n-BuLi in hexane (1.60 mL, 4.00 mmol) was added dropwise via syringe and the reaction was stirred for 15 min at 78 C. The cooling bath was removed, and the reaction stirred for 10 min. The reaction was cooled back to 78 C and stirred another 15 min. During this time 6H-benzo[c]chromen-6-one 9 (713 mg, 3.63 mmol) was dissolved in 10 mL of anhydrous THF in a separate oven dried round bottom flask. The solution was cooled to 78 C in a dry ice/acetone bath and sparged with Ar for 10 min. The aryllithium solution was transferred to the solution containing 9 at 78 C via cannula under Ar pressure. The cooling bath was removed, and the reaction stirred for 10 min. The reaction was cooled back to 78 C and stirred another 15 min. The reaction was quenched by the addition of 20 mL of sat. NH4Cl over 10 min at 78 C. The cooling bath was removed, and the reaction was allowed to warm to rt with stirring. 20 mL of water was added, and the mixture was subsequently extracted 3x with 50 mL of EtOAc. The combined organics were washed with brine, dried with Na2SO4, filtered, and concentrated under reduced pressure to yield a crude oily solid. The crude product was purified with column chromatography under gradient elution (10:90 CH2Cl2:hexane/80:20 CH2Cl2:hexane) to yield 17a as a light-yellow powder (750 mg, 40%) but not characterized further. 300 mg (0.580 mmol) of 17a was dissolved in 20 mL of CH2Cl2 in a graduated cylinder and 0.1 mL of a neat 1:1 HBF4 diethyl ether complex and 0.5 mL of Ac2O was carefully added resulting in a blue solution. Diethyl ether (30 mL) was layered on top of the solution and was allowed to sit for 48 h as a ppt formed. The ppt was filtered to achieve a greenish/black solid (273 mg, 80%). The product was acid sensitive and was therefore analyzed via NMR spectroscopy dissolved in CD2Cl2 as a solvent with no added CF3CO2D, which reduced its solubility. mp 226e229 C. 1H NMR (400 MHz,CD2Cl2): d 8.92 (d, J 8.6 Hz, 1H), 8.84 (d, J 8.3 Hz, 1H), 8.78 (d,J 8.1 Hz, 1H), 8.60 (t, J 7.7 Hz, 1H), 8.36 (d, J 8.6 Hz, 2H), 8.27 (d,J 8.3 Hz, 1H), 8.17 (t, J 7.8 Hz, 1H), 8.15-8.02 (m, 4H), 7.73 (br,2H), 7.36 (br, 5H) 7.20 (br, 7H). 13C NMR (100 MHz, CD2Cl2): d 183.4,151.9, 144.1, 139.8, 136.5, 135.2,135.1, 132.6, 131.2, 130.2, 129.1, 128.2,127.5, 126.3, 124.7, 124.6, 124.1, 122.1, 121.0, 120.3. IR (ATR) nmax:1583, 1485, 1050 cm1. HRMS (ESI) m/z calcd for C37H26NO [M]500.2014, found 500.2023.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 2005-10-9, its application will become more common.

Reference:
Article; Meyer, Samantha M.; Charlesworth-Seiler, Eva M.; Patrow, Joel G.; Kitzrow, Jonathan P.; Gerlach, Deidra L.; Reinheimer, Eric W.; Dahl, Bart J.; Tetrahedron; vol. 76; 23; (2020);,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Share a compound : C13H8O2

Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 2005-10-9, name is 6H-Benzo[c]chromen-6-one, This compound has unique chemical properties. The synthetic route is as follows., Quality Control of 6H-Benzo[c]chromen-6-one

2a (58.8 mg, 0.3 mmol) and MeCN (3 mL) was added to a flask (10 mL), then NaOH aqueous solution (5% (W/W), 2 mL) was dropped. After stired for 3 h at room temperature, the reaction mixture was wished with CH2Cl2 (3 5 mL) and filtered through Celite. After evaporation of the solvent under vacuum, the residue was purified by column chromatography on silica gel (100-200 mesh) using petroleum ether-EtOAc (10/1, V/V) as eluent to give pure 5. 4.3.35. 20-Hydroxy-(1,10-biphenyl)-2-carboxylic acid (5) Prepared from 6H-benzo[c]chromen-6-one; isolated as white solid (63.0 mg, 98%), m.p. 90-91 C (lit.25 93 C); 1H NMR(500 MHz, CDCl3): d 8.41 (d, J 7.5 Hz, 1H), 8.13 (d, J 8.0 Hz, 1H),8.07 (d, J 8.0 Hz, 1H), 7.84 (t, J 7.5 Hz, 1H), 7.60 (t, J 7.0 Hz, 1H),7.49 (t, J 8.0 Hz, 1H), 7.39e7.34 (m, 2H); 13C NMR (125 MHz,CDCl3): d 161.2,151.3,134.82,134.77,130.6,130.4,128.9,124.5,122.8,121.7, 121.3, 118.1, 117.8.

According to the analysis of related databases, 2005-10-9, the application of this compound in the production field has become more and more popular.

Simple exploration of 2005-10-9

The synthetic route of 2005-10-9 has been constantly updated, and we look forward to future research findings.

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 2005-10-9, name is 6H-Benzo[c]chromen-6-one, A new synthetic method of this compound is introduced below., Formula: C13H8O2

Magnesium (0.190 g, 7.50 mmol) was placed into an oven-dried round bottom flask and flushed with Ar for 30 min while stirring. 4-Bromobiphenyl 5 (1.75 g, 7.50 mmol), anhydrous THF (10 mL), and a crystal of I2 were then added and the reaction stirred for 1.5 h under Ar. During this time 6H-benzo[c]chromen-6-one 9 (0.981 g, 5.00 mmol) was dissolved in 10 mL of anhydrous THF in a separate oven dried round bottom flask. The flask was cooled to 0 C with an ice bath and sparged for 30 min with Ar. The arylmagnesium bromide solution was transferred to the solution containing 9 at 0 Cvia cannula under Ar pressure. The cooling bath was removed, and the reaction was stirred for 18 h. 50 mL of sat. NH4Cl was added to the reaction and subsequently extracted 3x with 25 mL of Et2O. The combined organics were dried with Na2SO4, filtered, and concentrated under reduced pressure. The crude product was dissolved in25 mL of diethyl ether and cooled to 0 C in an ice bath and stirred very rapidly. A chilled (0 C) solution of 70% perchloric acid in acetic anhydride (1:3 by volume) was slowly added drop-wise to the stirring ethereal solution until a colored precipitate formed. The crude product was filtered and recrystallized in glacial acetic acid to yield orange-yellow needles (1.36 g, 63%). mp 234e236 C. 1H NMR(400 MHz, CDCl3/CF3CO2D): d 8.93 (d, J 8.3 Hz, 1H), 8.87 (d,J 8.3 Hz, 1H), 8.79 (d, J 8.3 Hz, 1H), 8.61 (t, J 8.3 Hz, 1H), 8.36(d, J 8.5 Hz, 2H), 8.29 (d, J 8.5 Hz, 1H), 8.20-8.04 (m, 5H), 7.80-7.77 (m, 2H), 7.61-7.52 (m, 3H). 13C NMR (100 MHz, CDCl3/CF3CO2D): d 183.8, 151.5, 150.0, 143.9, 139.6, 138.1, 136.2, 134.6,134.2, 132.0, 130.8, 129.8, 129.4, 128.6, 127.9, 127.6, 123.1, 123.9,121.5, 120.6, 119.9. IR (ATR) nmax: 1597, 1542, 1069 cm1. HRMS (ESI)m/z calcd for C25H17O [M] 333.1279, found 333.1276.

The synthetic route of 2005-10-9 has been constantly updated, and we look forward to future research findings.

Continuously updated synthesis method about 2005-10-9

The chemical industry reduces the impact on the environment during synthesis 6H-Benzo[c]chromen-6-one. I believe this compound will play a more active role in future production and life.

2005-10-9, The chemical industry reduces the impact on the environment during synthesis 2005-10-9, name is 6H-Benzo[c]chromen-6-one, I believe this compound will play a more active role in future production and life.

2a (58.8 mg, 0.3 mmol), NaBH4 (17.1 mg, 0.45 mmol) and EtOH (3 mL) was added to a flask (10 mL) and stired for 6 h at room temperature. The reaction mixture was wished with CH2Cl2 (3 x5 mL) and filtered through Celite. After evaporation of the solvent under vacuum, the residue was purified by column chromatography on silica gel (100-200 mesh) using petroleum ether-EtOAc (10/1, V/V) as eluent to give pure 6. 4.4.1. 6H-benzo[c]chromen (6)Prepared from 6H-benzo[c]chromen-6-one; isolated as whitesolid (50.3 mg, 92%), m.p. 130-132 C; 1H NMR (500 MHz, CDCl3):d 7.52-7.50 (m, 1H), 7.42-7.40 (m, 2H), 7.29-7.26 (m, 2H), 7.12 (dd,J1 7.5 Hz, J2 1.5 Hz, 1H), 7.02-6.99 (m, 1H), 6.95 (d, J 8.5 Hz,1H), 4.48e4.42 (m, 2H); 13C NMR (125 MHz, CDCl3): d 152.9, 138.9,136.5,130.9,130.8,129.4,129.3,128.6,128.5,127.8,120.8,116.4, 63.7.

The chemical industry reduces the impact on the environment during synthesis 6H-Benzo[c]chromen-6-one. I believe this compound will play a more active role in future production and life.