An update on the compound challenge: C10H10O2

About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Barazandehdoust, M; Mamaghani, M; Kefayati, H or concate me.. SDS of cas: 103-26-4

SDS of cas: 103-26-4. Recently I am researching about HETEROGENEOUS CATALYST; SEPARABLE CATALYST; REUSABLE CATALYST; NANOPARTICLES; EFFICIENT; PD; COMPLEX; SILICA; RECOVERY; LIGAND, Saw an article supported by the . Published in SPRINGER in DORDRECHT ,Authors: Barazandehdoust, M; Mamaghani, M; Kefayati, H. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

A palladium organic-inorganic hybrid magnetic nanocatalyst for the Heck-cross coupling reactions was developed. This newly synthesized phosphine-free PdMNPs catalyzed Heck-cross coupling reactions in short reaction times (20-30 min) and high to excellent yields (75-93%). The catalyst was separated simply by an external magnet and reused in 10 successive runs without significant decrease in catalytic activity. The structure of the catalyst was established by Fourier transform infrared, X-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray spectroscopy, vibrating sample magnetometer and thermogravimetric analysis analyses.

About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Barazandehdoust, M; Mamaghani, M; Kefayati, H or concate me.. SDS of cas: 103-26-4

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The Absolute Best Science Experiment for 103-26-4

COA of Formula: C10H10O2. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Komarova, AO; Dick, GR; Luterbacher, JS or concate me.

Komarova, AO; Dick, GR; Luterbacher, JS in [Komarova, Anastasia O.; Dick, Graham R.; Luterbacher, Jeremy S.] Ecole Polytech Fed Lausanne EPFL, Inst Chem Sci & Engn, Lab Sustainable & Catalyt Proc, Stn 6, CH-1015 Lausanne, Switzerland; [Dick, Graham R.] Lygg Corp, 2627 Hanover St, Palo Alto, CA 94304 USA published Diformylxylose as a new polar aprotic solvent produced from renewable biomass in 2021.0, Cited 57.0. COA of Formula: C10H10O2. The Name is Methyl 3-phenyl-2-propenoate. Through research, I have a further understanding and discovery of 103-26-4.

Demand for sustainable polar aprotic solvents is increasing due to their unique solubilizing properties and the toxicity of conventional analogs, which are facing pressure from extensive safety legislation. Polar aprotic solvents are particularly difficult to produce renewably because polar molecules that lack hydroxyl groups are rarely found in abundance in the natural world. Here, we explore the use of diformylxylose (DFX), a xylose-derived molecule that can be produced in a single step from lignocellulosic biomass, as a novel polar aprotic bio-based solvent. We notably demonstrate that diformylxylose shows a similar performance to conventional polar aprotic solvents (DMF, NMP, DMSO) in alkylation, cross-coupling (Heck), and hydrogenation reactions. We also demonstrate its straightforward production from commercial xylose and show that it is non-mutagenic, according to the Ames test. Renewable DFX appears to be a greener alternative to common polar aprotic solvents that are considered problematic for industry.

COA of Formula: C10H10O2. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Komarova, AO; Dick, GR; Luterbacher, JS or concate me.

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Top Picks: new discover of C10H10O2

Recommanded Product: Methyl 3-phenyl-2-propenoate. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Cotchakaew, N; Soonwera, M or concate me.

I found the field of Tropical Medicine very interesting. Saw the article Toxicity of several botanical essential oils and their combinations against females of Aedes albopictus (Skuse) and Anopheles minimus (Theobald): Oviposition deterrent, ovicidal and adulticidal efficacies published in 2019.0. Recommanded Product: Methyl 3-phenyl-2-propenoate, Reprint Addresses Soonwera, M (corresponding author), King Mongkuts Inst Technol Ladkrabang, Fac Agr Technol, Dept Plant Prod Technol, Bangkok 10520, Thailand.. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

Objective: To investigate the efficacies of 12 essential oil (EO) formulations from three Zingiberaceae plants (Alpinia galanga, Curcuma zedoaria, and Zingiber cassumunar) individually and in combination with an augmenting Eucalyptus globulus (E. globulus) EO against females of Aedes albopictus (Ae. albopictus) and Anopheles minimus (An. minimus). Methods: These formulations were evaluated for their ovicidal, oviposition deterrent and adulticidal activities against Ae. albopictus and An. minimus by a topical method, a double-choice method and a WHO susceptibility test, respectively. Results: It was found that all formulations of Zingiberaceae plants EOs augmented with E. globulus EO were more effective in oviposition deterrent, ovicidal, and adulticidal activities against the two mosquito species than all of the formulations used without E. globulus EO. Their oviposition deterrent, ovicidal and adulticidal activities were equivalent to those of 10% w/v cypennethrin. In contrast, 70% v/v ethyl alcohol as a control alone was not effective at all. The highest synergistic effect in effective repellency against Ae. albopictus was achieved by 5% Alpinia galanga EO + 5% E. globulus EO and against An. minimus was 5% Zingiber cassumunar EO + 5% E. globulus EO. Moreover, the highest synergistic effects in ovicidal activities against Ae. albopictus and An. minimus were achieved by 10% Zingiber cassumunar EO + 10% E. globulus EO and 5% Curcuma zedoaria EO + 5% E. globulus EO, respectively. For the adulticidal activities, the highest synergistic effect against two mosquitoes was achieved by 5% Curcuma zedoaria EO + 5% E. globulus EO. Conclusions: These results suggest that Zingiberaceae plant EOs augmented with E. globulus EO have a high potential to be developed into oviposition deterrent, ovicidal, and adulticidal agents for controlling populations of Ae. albopictus and An. minimus.

Recommanded Product: Methyl 3-phenyl-2-propenoate. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Cotchakaew, N; Soonwera, M or concate me.

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

What I Wish Everyone Knew About 6H-Benzo[c]chromen-6-one

COA of Formula: C13H8O2. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Wang, JY; Peng, T; Zhang, XY; Xie, SL; Zheng, PM; Yao, K; Ke, YB; Wang, ZH; Jiang, HY or concate me.

I found the field of Biochemistry & Molecular Biology; Biophysics very interesting. Saw the article Application of quantitative structure-activity relationship analysis on an antibody and alternariol-like compounds interaction study published in 2019.0. COA of Formula: C13H8O2, Reprint Addresses Jiang, HY (corresponding author), China Agr Univ, Coll Vet Med, 2 Yuanmingyuan Xilu, Beijing 100193, Peoples R China.. The CAS is 2005-10-9. Through research, I have a further understanding and discovery of 6H-Benzo[c]chromen-6-one

The antigen-antibody interaction determines the sensitivity and specificity of competitive immunoassay for hapten detection. In this paper, the specificity of a monoclonal antibody against alternariol-like compounds was evaluated through indirect competitive ELISA. The results showed that the antibody had cross-reactivity with 33 compounds with the binding affinity (expressed by IC50) ranging from 9.4 ng/mL to 12.0 mu g/mL. All the 33 compounds contained a common moiety and similar substituents. To understand how this common moiety and substituents affected the recognition ability of the antibody, a three-dimensional quantitative structure-activity relationship (3D-QSAR) between the antibody and the 33 alternariol-like compounds was constructed using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methods. The q(2) values of the CoMFA and CoMSIA models were 0.785 and 0.782, respectively, and the r(2) values were 0.911 and 0.988, respectively, indicating that the models had good predictive ability. The results of 3D-QSAR showed that the most important factor affecting antibody recognition was the hydrogen bond mainly formed by the hydroxyl group of alternariol, followed by the hydrophobic force mainly formed by the methyl group. This study provides a reference for the design of new hapten and the mechanisms for antibody recognition.

COA of Formula: C13H8O2. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Wang, JY; Peng, T; Zhang, XY; Xie, SL; Zheng, PM; Yao, K; Ke, YB; Wang, ZH; Jiang, HY 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

New explortion of Methyl 3-phenylpropionate

Category: esters-buliding-blocks. About Methyl 3-phenylpropionate, If you have any questions, you can contact Mohammadhosayni, M; Khosrojerdi, A; Lorian, K; Aslani, S; Imani, D; Razi, B; Babaie, F; Torkamandi, S or concate me.

An article Matrix metalloproteinases (MMPs) family gene polymorphisms and the risk of multiple sclerosis: systematic review and meta-analysis WOS:000537952300002 published article about GELATINASE B GENE; CEREBROSPINAL-FLUID; SUSCEPTIBILITY; MATRIX-METALLOPROTEINASE-9; PROMOTER; ASSOCIATION; HERITABILITY; MS; EXPRESSION; BIOMARKERS in [Mohammadhosayni, Mina] Shahed Univ, Dept Immunol, Fac Med, Tehran, Iran; [Khosrojerdi, Arezou] Tarbiat Modares Univ, Dept Med Immunol, Fac Med Sci, Tehran, Iran; [Lorian, Keivan] Univ Tehran Med Sci, Sch Med, Dept Physiol, Tehran, Iran; [Aslani, Saeed] Univ Tehran Med Sci, Sch Med, Dept Immunol, Tehran, Iran; [Imani, Danyal] Univ Tehran Med Sci, Sch Publ Hlth, Dept Immunol, Tehran, Iran; [Razi, Bahman] Tarbiat Modares Univ, Sch Med, Dept Hematol & Blood Transfus, Tehran, Iran; [Babaie, Farhad] Urmia Univ Med Sci, Cellular & Mol Res Ctr, Orumiyeh, Iran; [Torkamandi, Shahram] Urmia Univ Med Sci, Dept Med Genet & Immunol, Fac Med, Orumiyeh, Iran in 2020.0, Cited 61.0. The Name is Methyl 3-phenylpropionate. Through research, I have a further understanding and discovery of 103-25-3. Category: esters-buliding-blocks

Background Several studies have reported the association between polymorphisms in Matrix metalloproteinases (MMPs) gene family and risk of Multiple sclerosis (MS). However, the results have been inconsistent and inconclusive. To resolve this issue, here we performed a systematic review and meta-analysis of the MMP-91562 C/T (rs3918242), MMP-3 (- 1612 5A/6A), and MMP-2 (- 1306 C/T) polymorphisms and susceptibility to MS. Methods We conducted a comprehensive systematic search in the major electronic database, including Scopus and PubMed to look up for relevant studies published before December 2019 that surveyed the association between the MMP-91562 C/T (rs3918242), MMP-3 (- 1612 5A/6A), and MMP-2 (- 1306 C/T) polymorphisms and susceptibility to MS. The level of association between the polymorphisms and susceptibility to MS in the polled analysis was determined by calculating the odds ratio (OR) and the corresponding 95% confidence interval (CI). Results We found 15 studies containing 2430 MS subjects and 2304 controls. A statistically significant association was observed in the all five comparisons of the MMP-91562 C/T polymorphism and MS risk as follows: dominant model (OR = 1.62, 95% CI = 1.03-2.53, P = 0.03), recessive model (OR = 2.69, 95% CI = 1.68-4.29, P < 0.001), allelic model (OR = 1.51, 95% CI = 1-2.28, P = 0.04), TT vs. CC model (OR = 3.20, 95% CI = 1.87-5.46, P < 0.001), and CT vs. CC model (OR = 1.53, 95% CI = 1.02-2.28, P = 0.04). Conclusions Our meta-analysis revealed significant association of MMP-9 (- 1562 C/T) Single-nucleotide polymorphism (SNP) with MS susceptibility that increased the disease risk. Category: esters-buliding-blocks. About Methyl 3-phenylpropionate, If you have any questions, you can contact Mohammadhosayni, M; Khosrojerdi, A; Lorian, K; Aslani, S; Imani, D; Razi, B; Babaie, F; Torkamandi, S or concate me.

Reference:
Patent; SANOFI; US2011/294788; (2011); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Simple exploration of C10H10O2

HPLC of Formula: C10H10O2. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Urena, JF; Ebersol, LA; Silakov, A; Elias, RJ; Lambert, JD or concate me.

HPLC of Formula: C10H10O2. Recently I am researching about FREE-RADICAL FORMATION; NICOTINE; EXPOSURE; TOBACCO; SMOKE; PROLIFERATION; TOPOGRAPHY; CHEMICALS; SOLVENT; GLYCOL, Saw an article supported by the Penn State Tobacco Center for Regulatory Science [5U54CA189222]; U.S. Department of AgricultureUnited States Department of Agriculture (USDA) [4565]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Urena, JF; Ebersol, LA; Silakov, A; Elias, RJ; Lambert, JD. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

Electronic cigarettes (ECs) are categorized into generations which differ in terms of design, aerosol production, and customizability. Current and former smokers prefer third-generation devices that satisfy tobacco cravings more effectively than older generations. Recent studies indicate that EC aerosols from first- and second-generation devices contain reactive carbonyls and free radicals and can cause in vitro cytotoxicity. Third-generation ECs have not been adequately studied. Further, previous studies have focused on cells from the respiratory tract, whereas those of the oral cavity, which is exposed to high levels of EC aerosols, have been understudied. We quantified the production of reactive carbonyls and free radicals by a third-generation EC and investigated the induction of cytotoxicity and oxidative stress in normal and cancerous human oral cell lines using a panel of eight commercial EC liquids. We found that EC aerosols produced using a new atomizer contained formaldehyde, acetaldehyde, and acrolein, but did not contain detectable levels of free radicals. We found that EC aerosols generated from only one of the eight liquids tested using a new atomizer induced cytotoxicity against two human oral cells in vitro. Treatment of oral cells with the cytotoxic EC aerosol caused a concomitant increase in intracellular oxidative stress. As atomizer age increased with repeated use of the same atomizer, carbonyl production, radical emissions, and cytotoxicity increased. Overall, our results suggest that thirdgeneration ECs may cause adverse effects in the oral cavity and normal EC use, which involves repeated use of the same atomizer to generate aerosol, may enhance the potential toxic effects of third-generation ECs.

HPLC of Formula: C10H10O2. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Urena, JF; Ebersol, LA; Silakov, A; Elias, RJ; Lambert, JD or concate me.

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Search for chemical structures by a sketch :103-26-4

Application In Synthesis of Methyl 3-phenyl-2-propenoate. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Levin, VV; Dilman, AD or concate me.

I found the field of Chemistry very interesting. Saw the article Visible-Light-Mediated Organocatalyzed Thiol-Ene Reaction Initiated by a Proton-Coupled Electron Transfer published in 2019.0. Application In Synthesis of Methyl 3-phenyl-2-propenoate, Reprint Addresses Dilman, AD (corresponding author), ND Zelinskii Inst Organ Chem, Leninsky Prospect 47, Moscow 119991, Russia.. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

A convenient method for performing a thiol-ene reaction is described. The reaction is performed under blue-light irradiation and catalyzed by photoactive Lewis basic molecules such as acridine orange or naphthalene-fused N-acylbenzimidazole. It is believed that the process is initiated by a proton-coupled electron transfer process within the complex between the thiol and the Lewis basic catalyst.

Application In Synthesis of Methyl 3-phenyl-2-propenoate. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Levin, VV; Dilman, AD or concate me.

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The Shocking Revelation of Methyl 3-phenylpropionate

SDS of cas: 103-25-3. About Methyl 3-phenylpropionate, If you have any questions, you can contact Yang, J; Liu, JW; Ge, Y; Huang, WH; Schneider, C; Duhren, R; Franke, R; Neumann, H; Jackstell, R; Beller, M or concate me.

Yang, J; Liu, JW; Ge, Y; Huang, WH; Schneider, C; Duhren, R; Franke, R; Neumann, H; Jackstell, R; Beller, M in [Yang, Ji; Liu, Jiawang; Ge, Yao; Huang, Weiheng; Schneider, Carolin; Duehren, Ricarda; Neumann, Helfried; Jackstell, Ralf; Beller, Matthias] Leibniz Inst Katalyse, Albert Einstein Str 29a, D-18059 Rostock, Germany; [Franke, Robert] Evon Ind AG, Paul Baumann Str 1, D-45772 Marl, Germany; [Franke, Robert] Lehrstuhl Theoret Chem, D-44780 Bochum, Germany published A general platinum-catalyzed alkoxycarbonylation of olefins in 2020.0, Cited 54.0. SDS of cas: 103-25-3. The Name is Methyl 3-phenylpropionate. Through research, I have a further understanding and discovery of 103-25-3.

Hydroxy- and alkoxycarbonylation reactions constitute important industrial processes in homogeneous catalysis. Nowadays, palladium complexes constitute state-of-the-art catalysts for these transformations. Herein, we report the first efficient platinum-catalysed alkoxycarbonylations of olefins including sterically hindered and functionalized ones. This atom-efficient catalytic transformation provides straightforward access to a variety of valuable esters in good to excellent yields and often with high selectivities. In kinetic experiments the activities of Pd- and Pt-based catalysts were compared. Even at low catalyst loading, Pt shows high catalytic activity.

SDS of cas: 103-25-3. About Methyl 3-phenylpropionate, If you have any questions, you can contact Yang, J; Liu, JW; Ge, Y; Huang, WH; Schneider, C; Duhren, R; Franke, R; Neumann, H; Jackstell, R; Beller, M or concate me.

Reference:
Patent; SANOFI; US2011/294788; (2011); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An update on the compound challenge: 2005-10-9

Name: 6H-Benzo[c]chromen-6-one. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Pan, C; Wang, LM; Han, JW or concate me.

Recently I am researching about C-F BOND; H DUAL ACTIVATION; CASCADE ANNULATION; CARBOXYLIC-ACIDS; ARYL MIGRATION; ARYLATION; ACCESS; DERIVATIVES; EXTENSION; NITRILES, Saw an article supported by the NSFC/ChinaNational Natural Science Foundation of China (NSFC) [21772039, 21421004]; Shanghai Municipal Science and Technology Major Project [2018SHZDZX03]; Programme of Introducing Talents of Discipline to UniversitiesMinistry of Education, China – 111 Project [B16017]; National Key Research and Development Program [2016YFA0200302]; Croucher Foundation (Hong Kong). Name: 6H-Benzo[c]chromen-6-one. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Pan, C; Wang, LM; Han, JW. The CAS is 2005-10-9. Through research, I have a further understanding and discovery of 6H-Benzo[c]chromen-6-one

By using 2-fluoro-substituted diaryliodonium salts, a novel benzocylization has been accomplished for the synthesis of 3,4-benzocoumarin derivatives via a cascade of ortho-arylation and defluorination in the presence of palladium catalysts. The reaction exhibits a broad compatibility of readily available aromatic acids with an excellent level of site-selectivity. Mechanistic investigations revealed a unique reactivity of carboxylic acid directed arylation by followed nucleophilic substitution of aromatic fluoride in the present system.

Name: 6H-Benzo[c]chromen-6-one. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Pan, C; Wang, LM; Han, JW 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

New learning discoveries about 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

HPLC of Formula: C13H8O2. Recently I am researching about CHARGE-TRANSFER; ORGANIC COCRYSTALS; MOLECULAR-COMPLEX; DESIGN; ANTHRACENE; PYRENE; WILL, Saw an article supported by the Engineering and Physical Sciences Research Council (EPSRC)UK Research & Innovation (UKRI)Engineering & Physical Sciences Research Council (EPSRC) [EP/S026339/1]; EPSRCUK Research & Innovation (UKRI)Engineering & Physical Sciences Research Council (EPSRC) [EP/R018472/1]; Leverhulme TrustLeverhulme Trust; Leverhulme Research Centre for Functional Materials Design via the Leverhulme Research Centre for Functional Materials Design [RC-2015-036]; Cambridge Crystallographic Data Centre. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Vriza, A; Canaj, AB; Vismara, R; Cook, LJK; Manning, TD; Gaultois, MW; Wood, PA; Kurlin, V; Berry, N; Dyer, MS; Rosseinsky, MJ. The CAS is 2005-10-9. Through research, I have a further understanding and discovery of 6H-Benzo[c]chromen-6-one

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).

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

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