Tag: M.W=150-200

Computed Properties of C7H5NO3. Authors Al-Adhami, HJ; Al-Majidi, SMH in MAIK NAUKA/INTERPERIODICA/SPRINGER published article about in [Al-Adhami, H. J.; Al-Majidi, S. M. H.] Univ Baghdad, Coll Sci, Dept Chem, Baghdad 10071, Iraq in 2021.0, Cited 26.0. The Name is 3-Nitrobenzaldehyde. Through research, I have a further understanding and discovery of 99-61-6

The condensation of 6-amino-1,3-dimethyluracil with substituted benzaldehydes gave six Schiff base derivatives which were brought into cyclizations with sodium azide, anthranilic acid, and 2-sulfanylbenzoic acid to afford new dihydrotetrazoles, dihydroquinazolin-4-ones, and 1,3-benzothiazine-4-ones containing a 1,3-di-methyluracil fragment. The structure of the newly synthesized compounds was confirmed by FTIR and NMR spectroscopy, and their in vitro antioxidant and antimicrobial activities against some bacterial and fungal strains were evaluated.

Computed Properties of C7H5NO3. About 3-Nitrobenzaldehyde, If you have any questions, you can contact Al-Adhami, HJ; Al-Majidi, SMH or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Zhan, SC; Fang, RJ; Sun, J; Yan, CG in [Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo] Yangzhou Univ, Coll Chem & Chem Engn, Yangzhou 225002, Jiangsu, Peoples R China published Diastereoselective synthesis of spiro[carbazole-3,5 ‘-pyrimidines] and spiro[carbazole-3,1 ‘-cyclohexanes] via four-component reaction in 2021.0, Cited 55.0. Name: 3-Nitrobenzaldehyde. The Name is 3-Nitrobenzaldehyde. Through research, I have a further understanding and discovery of 99-61-6.

Functionalized spiro[carbazole-3,5 ‘-pyrimidines] and spiro[carbazole-3,1 ‘-cyclohexanes] were efficiently synthesized in satisfactory yields with high diastereoselectivity by CuSO4 catalyzed multicomponent reaction of indole-2-acetate, aromatic aldehyde and 1,3-dimethylbarbituric acid or dimedone. The reaction was finished with sequential Diels-Alder reaction of both in situ generated indole-2,3-quinodimethane and a dienophile. Additionally, the initially formed spiro[carbazole-3,5 ‘-pyrimidines] were converted to dehydrogenated spiro[carbazole-3,5 ‘-pyrimidines] by DDQ oxidation. The initially formed spiro[carbazole-3,1 ‘-cyclohexanes] were converted to delta-valerolactone-substituted carbazoles by a DDQ promoted Baeyer-Villiger oxidation process.

Name: 3-Nitrobenzaldehyde. About 3-Nitrobenzaldehyde, If you have any questions, you can contact Zhan, SC; Fang, RJ; Sun, J; Yan, CG or concate me.

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Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

An article Nontarget Screening of Polycyclic Aromatic Compounds in Atmospheric Particulate Matter Using Ultrahigh Resolution Mass Spectrometry and Comprehensive Two-Dimensional Gas Chromatography WOS:000606821200012 published article about FT-ICR MS; HYDROCARBONS PAHS; MOLECULAR CHARACTERIZATION; AIRBORNE PARTICLES; OXYGENATED-PAHS; IDENTIFICATION; EMISSIONS; PM2.5; QUANTIFICATION; CONTAMINANTS in [Xu, Chi; Gao, Lirong; Zheng, Minghui; Qiao, Lin; Wang, Kunran; Huang, Di; Wang, Shuang] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Lab Environm Chem & Ecotoxicol, Beijing 100085, Peoples R China; [Xu, Chi; Gao, Lirong; Zheng, Minghui; Qiao, Lin; Wang, Kunran; Huang, Di; Wang, Shuang] Univ Chinese Acad Sci, Beijing 100049, Peoples R China in 2021, Cited 45. Application In Synthesis of Anthrone. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8

Polycyclic aromatic hydrocarbons (PAHs) are mutagenic and carcinogenic. 16 PAHs as priority pollutants listed by the US Environmental Protection Agency were usually monitored. Therefore, multiple potentially toxic polycyclic aromatic compounds (PACs) are not monitored. In this study, atmospheric particulate matter samples from Beijing were analyzed using atmospheric pressure photoionization (APPI) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry and comprehensive two-dimensional gas chromatography-time-of-flight (GC x GC-TOF) mass spectrometry. The FT-ICR data detected high molecular weight PAHs, alkylated PAHs (APAHs) and heteroatom PAHs. The GC x GC-TOF data tentatively identified 386 PACs in five categories of identification confidence. Twenty-one spectra in the unknown class were manually resolved. Eighty-two PACs with high identification confidence were proposed for further research. The identities of five PAHs and five APAHs that are currently not regulated were confirmed using available standards and quantified in some samples. Some of these PACs, such as dibenzo[a,e]pyrene (C22H14) and 1-methylpyrene (C17H12), should be of concern because of their contamination levels and the high toxicities of themselves and/or their derivatives. This study highlights the possibility of expanding the traditional lists of PAHs to improve pollution control and risk assessment accuracy.

About Anthrone, If you have any questions, you can contact Xu, C; Gao, LR; Zheng, MH; Qiao, L; Wang, KR; Huang, D; Wang, S or concate me.. Application In Synthesis of Anthrone

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Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

In 2021 INORG CHIM ACTA published article about ZETA VALENCE QUALITY; GAUSSIAN-BASIS SETS; COPPER(II) COMPLEXES; CATALYTIC MECHANISM; BETA-MONOOXYGENASE; OLEFIN EPOXIDATION; COMPOUND I; ATOMS LI; OXO; MONONUCLEAR in [Khazanov, Thomas M.; Botcha, Niharika Krishna; Mukherjee, Anusree] Univ Alabama, Dept Chem, 301 Sparkman Dr, Huntsville, AL 35899 USA; [Yergeshbayeva, Sandugash; Shatruk, Michael] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA in 2021, Cited 88. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8. Formula: C14H10O

This work presents a detailed study of the reactivity of three mononuclear Cu-II complexes supported by derivatives of the tetradentate ligand N,N’-bis(2-pyridylmethyl)-1,2-ethylenediamine (bispicen). The Cu-II complexes are capable of performing C – H bond activation in the presence of NEt3 and H2O2 through what has been proposed computationally to be a [CuO](+) intermediate. A wavefunction-based quantum chemical investigation into the electronic structure of the proposed [CuO](+) intermediate reveals a triplet ground state predominantly consistent with an S = 1/2 Cu-II center ferromagnetically coupled to an oxyl radical, though contributions from the corresponding biradicaloid CM-oxen resonance structure may be nontrivial. Furthermore, correlation of the electronic structure of the proposed intermediate with analogous high-valent metal-oxo species capable of olefin epoxidation suggests that the Cu-II complexes might be also capable of olefin epoxidation in the presence of NEt3 and H2O2. To test this hypothesis experimentally, the Cu-II complexes are treated with NEt 3 and H2O2 in the presence of alkene substrates, resulting in the formation of epoxides.

About Anthrone, If you have any questions, you can contact Khazanov, TM; Botcha, NK; Yergeshbayeva, S; Shatruk, M; Mukherjee, A or concate me.. Formula: C14H10O

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Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

An article Oxidative Cleavage of Alkenes by O-2 with a Non-Heme Manganese Catalyst WOS:000672592000032 published article about O BOND ACTIVATION; MOLECULAR-OXYGEN; SELECTIVE OXIDATION; SINGLET OXYGEN; C=C BONDS; COMPLEX; DIOXYGEN; OLEFINS; REACTIVITY; IRON in [Huang, Zhiliang; Guan, Renpeng; Bennett, Elliot L.; Robertson, Craig M.; Xiao, Jianliang] Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England; [Shanmugam, Muralidharan; Brookfield, Adam; McInnes, Eric J. L.] Univ Manchester, Dept Chem, Manchester M13 9PL, Lancs, England; [Shanmugam, Muralidharan; Brookfield, Adam; McInnes, Eric J. L.] Univ Manchester, Photon Sci Inst, Manchester M13 9PL, Lancs, England in 2021.0, Cited 58.0. COA of Formula: C13H10O. The Name is Benzophenone. Through research, I have a further understanding and discovery of 119-61-9

The oxidative cleavage of C = C double bonds with molecular oxygen to produce carbonyl compounds is an important transformation in chemical and pharmaceutical synthesis. In nature, enzymes containing the first-row transition metals, particularly heme and non-heme iron-dependent enzymes, readily activate O-2 and oxidatively cleave C = C bonds with exquisite precision under ambient conditions. The reaction remains challenging for synthetic chemists, however. There are only a small number of known synthetic metal catalysts that allow for the oxidative cleavage of alkenes at an atmospheric pressure of O-2, with very few known to catalyze the cleavage of nonactivated alkenes. In this work, we describe a light-driven, Mn-catalyzed protocol for the selective oxidation of alkenes to carbonyls under 1 atm of O-2. For the first time, aromatic as well as various nonactivated aliphatic alkenes could be oxidized to afford ketones and aldehydes under clean, mild conditions with a first row, biorelevant metal catalyst. Moreover, the protocol shows a very good functional group tolerance. Mechanistic investigation suggests that Mn-oxo species, including an asymmetric, mixed-valent bis(mu-oxo)-Mn(III,IV) complex, are involved in the oxidation, and the solvent methanol participates in O-2 activation that leads to the formation of the oxo species.

About Benzophenone, If you have any questions, you can contact Huang, ZL; Guan, RP; Shanmugam, M; Bennett, EL; Robertson, CM; Brookfield, A; McInnes, EJL; Xiao, JL or concate me.. COA of Formula: C13H10O

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Authors Abouelela, ME; Assaf, HK; Abdelhamid, RA; Elkhyat, ES; Sayed, AM; Oszako, T; Belbahri, L; El Zowalaty, AE; Abdelkader, MSA in MDPI published article about VAR NATALENSIS BERGER; CHEMICAL-CONSTITUENTS; SAPONARIA-HAW; TETRAHYDROANTHRACENE DERIVATIVES; STRUCTURE ELUCIDATION; C-GLUCOSYLANTHRONES; CHROMONE COMPONENTS; MOLECULAR-DYNAMICS; ANTIVIRAL ACTIVITY; CALLUS-TISSUE in [Abouelela, Mohamed E.; Assaf, Hamdy K.; Abdelhamid, Reda A.; Elkhyat, Ehab S.] Al Azhar Univ, Fac Pharm, Dept Pharmacognosy, Assiut Branch, Assiut 71524, Egypt; [Sayed, Ahmed M.] Nanda Univ, Fac Pharm, Dept Pharmacognosy, Bani Suwayf 62513, Egypt; [Oszako, Tomasz] Forest Res Inst, Dept Forest Protect, PL-05090 Sekocin Stary, Poland; [Belbahri, Lassaad] Univ Neuchatel, Lab Soil Biol, CH-2000 Neuchatel, Switzerland; [El Zowalaty, Ahmed E.] Univ Gothenburg, Sahlgrenska Ctr Canc Res, Inst Clin Sci, Dept Surg, S-40530 Gothenburg, Sweden; [El Zowalaty, Ahmed E.] Univ Gothenburg, Wallenberg Ctr Mol & Translat Med, S-40530 Gothenburg, Sweden; [Abdelkader, Mohamed Salaheldin A.] Sohag Univ, Fac Pharm, Dept Pharmacognosy, Nasr City 82524, Sohag, Egypt in 2021, Cited 182. SDS of cas: 90-44-8. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8

Severe acute respiratory syndrome coronavirus (SARS-CoV-2) disease is a global rapidly spreading virus showing very high rates of complications and mortality. Till now, there is no effective specific treatment for the disease. Aloe is a rich source of isolated phytoconstituents that have an enormous range of biological activities. Since there are no available experimental techniques to examine these compounds for antiviral activity against SARS-CoV-2, we employed an in silico approach involving molecular docking, dynamics simulation, and binding free energy calculation using SARS-CoV-2 essential proteins as main protease and spike protein to identify lead compounds from Aloe that may help in novel drug discovery. Results retrieved from docking and molecular dynamics simulation suggested a number of promising inhibitors from Aloe. Root mean square deviation (RMSD) and root mean square fluctuation (RMSF) calculations indicated that compounds 132, 134, and 159 were the best scoring compounds against main protease, while compounds 115, 120, and 131 were the best scoring ones against spike glycoprotein. Compounds 120 and 131 were able to achieve significant stability and binding free energies during molecular dynamics simulation. In addition, the highest scoring compounds were investigated for their pharmacokinetic properties and drug-likeness. The Aloe compounds are promising active phytoconstituents for drug development for SARS-CoV-2.

About Anthrone, If you have any questions, you can contact Abouelela, ME; Assaf, HK; Abdelhamid, RA; Elkhyat, ES; Sayed, AM; Oszako, T; Belbahri, L; El Zowalaty, AE; Abdelkader, MSA or concate me.. SDS of cas: 90-44-8

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Safety of Benzophenone. Authors Tiessen, N; Kessler, M; Neumann, B; Stammler, HG; Hoge, B in WILEY-V C H VERLAG GMBH published article about in [Tiessen, Natalia; Kessler, Mira; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold] Univ Bielefeld, Fak Chem, Ctr Mol Mat, Univ Str 25, D-33615 Bielefeld, Germany in 2021.0, Cited 73.0. The Name is Benzophenone. Through research, I have a further understanding and discovery of 119-61-9

According to a first view on the geometrical and electronic structure of the tris(pentafluoroethyl)silanide, this anion appears as a Lewis base. Quantum chemical calculations on perfluoroalkylated silanides show significantly lower HOMO and LUMO energy levels in comparison to their non-fluorinated counterparts, which implies reduced Lewis basicity and increased Lewis acidity of the [Si(C2F5)(3)](-) ion. With these findings and a HOMO-LUMO gap of 4.80 eV similar to N-heterocyclic silylenes (NHSis), perfluoroalkyl silanides are predestined to exhibit Lewis-amphoteric character similar to silylenes. Deprotonation of Si(C2F5)(3)H with sterically demanding phosphazene bases afforded thermally stable phosphazenium salts of the [Si(C2F5)(3)](-) anion, which add to benzaldehyde, benzophenone, CS2, and CO2 in various manners. This behavior also mirrors the reactivity of silylenes towards ketones as well as heterocumulenes and is rationalized by Lewis amphotericity being inherent in these silanides.

Safety of Benzophenone. About Benzophenone, If you have any questions, you can contact Tiessen, N; Kessler, M; Neumann, B; Stammler, HG; Hoge, B or concate me.

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Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

SDS of cas: 104-21-2. Oh, SW; Yi, HJ; Lee, DH; Sung, JH in [Oh, Shin Woo; Yi, Ho Jun; Lee, Dong Hoon; Sung, Jae Hoon] Catholic Univ Korea, Coll Med, St Vincents Hosp, Dept Neurosurg, Seoul, South Korea; [Yi, Ho Jun] Hallym Univ, Dept Neurosurg, Coll Med, Hangang Sacred Heart Hosp, Seoul, South Korea published Prognostic Significance of Various Inflammation-Based Scores in Patients with Mechanical Thrombectomy for Acute Ischemic Stroke in 2020, Cited 43. The Name is 4-Methoxybenzyl acetate. Through research, I have a further understanding and discovery of 104-21-2.

BACKGROUND: The objective of this study was to assess the relationship between inflammation-based scores and prognosis of patients who had undergone mechanical thrombectomy (MT) for large artery occlusion. METHODS: A total of 411 patients were enrolled and inflammation-based scores, such as neutrophil/lymphocyte ratio (NLR), lymphocyte/monocyte ratio (LMR), and monocyte/high-density lipoprotein cholesterol ratio (MHR) were calculated based on laboratory data. Prognoses were evaluated with unfavorable outcome (modified Rankin Scale score of 3-6), symptomatic intracranial hemorrhage, hemorrhagic transformation of infarct, and mortality. Multivariate analyses were performed to explore the relationships of inflammation-based scores with various clinical outcomes. RESULTS: Patients with unfavorable outcome showed higher mean NLR and MHR but lower mean LMR than those with favorable outcome (NLR, 7.32 vs. 3.78, P <= 0.001; MHR, 1.42 vs. 1.15, P = 0.012; LMR, 2.76 vs. 3.70, P = 0.003). In multivariate analysis, higher NLR (>= 5.1) (odds ratio [OR], 1.58; 95% confidence interval [CI], 1.04-2.12; P = 0.014) and higher MHR (>= 1.4) (OR, 1.32; 95% CI, 1.10-1.74; P = 0.028), lower LMR (<2.5) (OR, 1.28; 95% CI, 1.08-1.58; P = 0.032) were independently associated with unfavorable outcome. CONCLUSIONS: After MT, higher NLR, higher MHR, and lower LMR were found in patients with unfavorable outcome. Inflammation-based scores, such as NLR, LMR, and MHR, might be independent factors that can predict outcomes in patients with MT. SDS of cas: 104-21-2. About 4-Methoxybenzyl acetate, If you have any questions, you can contact Oh, SW; Yi, HJ; Lee, DH; Sung, JH or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Product Details of 90-44-8. Li, JS; Zhang, H; Qi, H; Wang, JD; Xiang, WS in [Li, Jian-Song; Zhang, Hui; Qi, Huan; Wang, Ji-Dong] Zhejiang Hisun Pharmaceut Co Ltd, Zhejiang Key Lab Antifungal Drugs, Taizhou 318000, Peoples R China; [Xiang, Wen-Sheng] Northeast Agr Univ, Sch Life Sci, Life Sci & Biotechnol Res Ctr, Harbin 150030, Heilongjiang, Peoples R China published Bioactive naphthoquinone and anthrone derivatives from endophytic Micromonospora sp. NEAU-gq13 in 2019, Cited 16. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8.

Two new naphthalenone derivatives, 5-hydroxy-4-oxo-2-(2-oxopropyl)-1,2,3,4-tetrahydronaphthalen-1-yl acetate (1) and 5-hydroxy-2-(2-hydroxypropyl)naphthalene-1,4-dione (2), together with two new anthrone derivatives, (S)-2,5-dihydroxy-2-methyl-1,2,3,4-tetrahydroanthracene-9,10-dione (3) and 4,5-dihydroxy-2-methyl-9H-xanthen-9-one (4), were isolated from the fermentation broth of endophytic Micromonospora sp. NEAU-gq13. Their structures were determined by 1D-NMR, 2D-NMR, and HR-ESI-MS analysis. Compounds 2 and 3 exhibited strong cytotoxic activity against human central nervous system cancer (SF-268) with the IC50 values of 3.04 and 5.66 mu g/ml, respectively. Moreover, compound 2 also displayed potent activity against human liver cancer (HepG2) with an IC50 value of 1.01 mu g/ml.

Product Details of 90-44-8. About Anthrone, If you have any questions, you can contact Li, JS; Zhang, H; Qi, H; Wang, JD; Xiang, WS or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Name: Benzophenone. Lin, PP; Huang, LL; Feng, SX; Yang, S; Wang, HG; Huang, ZS; Li, QJ in [Lin, Peng-Peng; Huang, Long-Ling; Feng, Si-Xin; Yang, Shuang; Wang, Honggen; Huang, Zhi-Shu; Li, Qingjiang] Sun Yat Sen Univ, Sch Pharmaceut Sci, Guangdong Prov Key Lab Chiral Mol & Drug Discover, Guangzhou 510006, Peoples R China; [Li, Qingjiang] Peking Univ, State Key Lab Nat & Biomimet Drugs, Beijing 100191, Peoples R China published gem-Difluorination of Methylenecyclopropanes (MCPs) Featuring a Wagner-Meerwein Rearrangement: Synthesis of 2-Arylsubstituted gem-Difluorocyclobutanes in 2021.0, Cited 42.0. The Name is Benzophenone. Through research, I have a further understanding and discovery of 119-61-9.

The geminal difluorocyclobutane core is a valuable structural element in medicinal chemistry. Strategies for gem-difluorocyclobutanes, especially the 2-substituted cases, are limiting and often suffer from harsh reaction conditions. Reported herein is a migratory gem-difluorination of aryl-substituted methylenecycloproanes (MCPs) for the synthesis of 2-arylsubstituted gem-difluorocyclobutanes. Commercially available Selectfluor (FTEDA-BF4) and Py center dot HF were used as the fluorine sources. The protocol proceeds via a Wagner-Meerwein rearrangement with mild reaction conditions, good functional group tolerance, and moderate to good yields. The product could be readily transformed to gem-difluorocyclobutane-containing carboxylic acid, amine, and alcohol, all of which are useful building blocks for biologically active molecule synthesis.

About Benzophenone, If you have any questions, you can contact Lin, PP; Huang, LL; Feng, SX; Yang, S; Wang, HG; Huang, ZS; Li, QJ or concate me.. Name: Benzophenone

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem