Month: July 2021

Academic researchers, R&D teams, teachers, students, policy makers and the media all rely on us to share knowledge that is reliable, accurate and cutting-edge. 106-91-2, Name is Oxiran-2-ylmethyl methacrylate, SMILES is CC(C(OCC1OC1)=O)=C, in an article , author is Zhou, Shuli, once mentioned of 106-91-2, Application In Synthesis of Oxiran-2-ylmethyl methacrylate.

The Raman spectra and FT-IR spectra of 4-benzylidene-1-phenyl-2-selenomorpholino-1H-imidazol-5(4H)-one and its derivatives have been measured and their ground-state geometries and vibrational spectra are studied by DFT at B3LYP/6-31G(d) level. Comparing the optimized geometries of compounds 1-6, we find that different substituent and substitution site on benzene rings result in very small changes on the imidazoline skeleton, the changes on bond length are within 0.005 angstrom and on bond angle are within 0.5 degrees. Calculated spectra are well consistent with the experimental one and the deviations are smaller than 30cm-1. The influence of substituent on IR and Raman spectrum must not be neglected. Electron-withdrawing chlorine atom makes the stretching vibration of carbonyl group shift 4-16 cm(-1) towards higher wavenumber, but electron-donating methoxyl group and dioxole group make it shift 6-10 cm(-1) in IR and 9-13 cm(-1) in Raman spectrum towards lower wavenumber, respectively. Dioxole substitution makes the C=C stretching vibration of phenyl shift to a higher position at 1617-1618 cm(-1). The influence of intermolecular weak interaction on vibrational spectrum is studied by two models (dimer and monomer inclusion van del Waals correction). Dimer model presents a better accuracy, but van del Waals correction on B3LYP hybrid function does not produce a significant change on accuracy in this system. (C) 2013 Elsevier B.V. All rights reserved.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

Career opportunities within science and technology are seeing unprecedented growth across the world, and those who study chemistry or another natural science at university now have increasingly better career prospects. 4330-21-6, Name is Hoffer’s chlorosugar, SMILES is O=C(O[C@@H]1[C@@H](COC(C2=CC=C(C)C=C2)=O)O[C@H](Cl)C1)C3=CC=C(C)C=C3, belongs to dioxole compound. In a document, author is Lafite, Pierre, introduce the new discover, Recommanded Product: Hoffer’s chlorosugar.

Twenty five derivatives of the drugs terfenadine and ebastine have been designed, synthesized and evaluated as inhibitors of recombinant human CYP2J2. Compound 14, which has an imidazole substituent, is a good non-competitive inhibitor of CYP2.12 (IC50 – 400 nM). It is not selective towards CYP2.12 as it also efficiently inhibits the other main vascular CYPs, such as CYP2B6, 2C8. 2C9 and 3A4: however, it could be an interesting tool to inhibit all these vascular CYPs. Compounds 4, 5 and 13, which have a propyl, allyl and benzo-1,3-dioxole terminal group, respectively, are selective CYP2J2 inhibitors. Compound 4 is a high-affinity, competitive inhibitor and alternative substrate of CYP2J2 (K-i = 160 50 nM). Compounds 5 and 13 are efficient mechanism-based inhibitors of CYP2J2 (k(inact)/K-i values similar to 3000 L mol(-1) s(-1)). Inactivation of CYP2J2 by 13 is due to the formation of a stable iron-carbene bond which occurs upon CYP2J2-catalyzed oxidation of 13 with a partition ratio of 18 +/- 3. These new selective inhibitors should be interesting tools to study the biological roles of CYP2J2. Published by Elsevier Inc.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

With the volume and accessibility of scientific research increasing across the world, it has never been more important to continue building the reputation for quality and ethical publishing we’ve spent the past two centuries establishing. 56786-63-1, Name is (2AR,2’R,4S,5’R,6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-2a,4-dihydroxy-5′,6a,8a,9-tetramethylicosahydrospiro[naphtho[2′,1′:4,5]indeno[2,1-b]furan-10,2′-pyran]-2(11aH)-one, SMILES is [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC([C@@]6(O)C[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H])=O, in an article , author is Wohlfart, Paulus, once mentioned of 56786-63-1, Name: (2AR,2’R,4S,5’R,6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-2a,4-dihydroxy-5′,6a,8a,9-tetramethylicosahydrospiro[naphtho[2′,1′:4,5]indeno[2,1-b]furan-10,2′-pyran]-2(11aH)-one.

Many cardiovascular diseases are associated with reduced levels of bioactive nitric oxide ( NO) and an uncoupling of oxygen reduction from NO synthesis in endothelial NO synthase ( eNOS uncoupling). In human endothelial EA.hy 926 cells, two small-molecular-weight compounds with related structures, 4-fluoro-N-indan-2-yl-benzamide ( CAS no. 291756-32-6; empirical formula C16H14FNO; AVE9488) and 2,2-difluoro-benzo[1,3] dioxole-5-carboxylic acid indan-2-ylamide( CAS no. 450348-85-3; empirical formula C17H13F2NO3; AVE3085), enhanced eNOS promoter activity in a concentration-dependent manner; with the responsible cis-element localized within the proximal 263 base pairs of the promoter region. RNA interference-mediated knockdown of the transcription factor Sp1 significantly reduced the basal activity of eNOS promoter, but it did not prevent the transcription activation by the compounds. Enhanced transcription of eNOS by AVE9488 in primary human umbilical vein endothelial cells was associated with increased levels of eNOS mRNA and protein expression, as well as increased bradykinin-stimulated NO production. In both wild-type C57BL/6J mice and apolipoprotein E-knockout ( apoE-KO) mice, treatment with AVE9488 resulted in enhanced vascular eNOS expression. In apoE-KO mice, but not in eNOS-knockout mice, treatment with AVE9488 reduced cuff-induced neointima formation. A 12-week treatment with AVE9488 or AVE3085 reduced atherosclerotic plaque formation in apoE-KO mice, but not in apoE/eNOS-double knockout mice. Aortas from apoE-KO mice showed a significant generation of reactive oxygen species. This was partly prevented by nitric-oxide inhibitor N-omega- nitro-L-arginine methyl ester, indicating eNOS uncoupling. Treatment of mice with AVE9488 enhanced vascular content of the essential eNOS cofactor ( 6R)-5,6,7,8- tetrahydro-L-biopterin and reversed eNOS uncoupling. The combination of an up-regulated eNOS expression and a reversal of eNOS uncoupling is probably responsible for the observed vasoprotective properties of this new type of compounds.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

With the volume and accessibility of scientific research increasing across the world, it has never been more important to continue building the reputation for quality and ethical publishing we’ve spent the past two centuries establishing. 3458-28-4, Name is (2S,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanal, SMILES is O=C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O, in an article , author is Bandatmakuru, Sreenivasula Reddy, once mentioned of 3458-28-4, Recommanded Product: (2S,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanal.

Cyclization of 2-aryl amides with base lead to quinolone derivatives. Both graveoline and graveolinine were synthesized.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New Advances in Chemical Research in 2021. Recommanded Product: beta-D-Glucose pentaacetate, Chemistry involves the study of all things chemical – chemical processes, chemical compositions and chemical manipulation – in order to better understand the way in which materials are structured, how they change and how they react in certain situations. 604-69-3, Name is beta-D-Glucose pentaacetate, SMILES is CC(O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)=O, belongs to dioxole compound. In a article, author is Garza, CM, introduce new discover of the category.

A great deal of resources has been invested by the semiconductor industry as a whole to make ready 157 nm as the next lithography technology node. Despite of all this effort serious infrastructure issues remain to be solved. Perhaps the first one is the availability of CaF2, but a close second is a suitable soft-pellicle material. It has been previously reported(1-4) that standard 193 nm materials, like Teflon AF(R) and Cytop(R), fail catastrophically upon exposure at 157 nm radiation; and that their transmission is very poor to non-existent. In this paper we report data showing that these materials have higher transmission and lifetimes than previously thought 2. The physical lifetime of Cytop(R) of nearly 500 J/cm(2) is remarkably high, although the transmission varies as a function dose suggesting physical and chemical changes from the onset. For Teflon AF(R) the transmission is a more complex function of exposure dose, suggesting competing mechanisms. From experiments run with PVDF (polyvinyl difluoride), we conclude that the widely reported photodarkening effect is due to the presence of hydrogen in close proximity to a fluorine atom. From IR spectra we conclude that the dioxole moeity in Teflon AF(R) undergoes a series of photochemical reactions that lead to the physical destruction of the polymer.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New research progress on 98760-08-8 in 2021. Chemical research careers are more diverse than they might first appear, as there are many different reasons to conduct research and many possible environments. In an article, author is Yun, Young Sook, once mentioned the application of 98760-08-8, Recommanded Product: (2R,3S)-1,2-Epoxy-3-(Boc-amino)-4-phenylbutane, Name is (2R,3S)-1,2-Epoxy-3-(Boc-amino)-4-phenylbutane, molecular formula is C15H21NO3, molecular weight is 263.3321, MDL number is MFCD00671705, category is dioxole. Now introduce a scientific discovery about this category.

Black pepper (Piper nigrum) contains a variety of alkamides. Among them, piperine has been reported to have antidepressant-like effects in chronically stressed mice, but little is known about the biological activity of other alkamides. In this study, we investigated the effects of alkamides from white pepper (P. nigrum) on neuronal cells. Twelve alkamides were isolated from white pepper MeOH extracts, and their chemical structures were identified by NMR and MS analyses. The compounds were subjected to assays using the luciferase-reporter gene under the control of the BDNF promoter or cAMP response element in mouse neuroblastoma Neuro-2a cells. In both assays, marked reporter-inducing activity was observed for piperine (1), piperettine (2) and piperylin (7), all of which have in common an (E)-5-(buta-1,3-dien-1-yl)benzo[d] [1, 3] dioxole moiety. Piperettine (2) and piperylin (7) tended to increase endogenous BDNF protein levels. Furthermore, piperylin (7) promoted retinoic acid-induced neurite outgrowth. These results suggest that piperylin (7), or analogues thereof, may have a beneficial effect on disorders associated with dysregulation of BDNF expression, such as depression.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

Researchers are common within chemical engineering and are often tasked with creating and developing new chemical techniques, frequently combining other advanced and emerging scientific areas. 526-95-4, Name is Gluconic Acid (contains Gluconolactone), SMILES is O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(O)=O, in an article , author is Zezula, J, once mentioned of 526-95-4, Application of 526-95-4.

(3aR,7aS)-4-(2-Azidoethyl)-2,2-dimethyl-3a,7a-dihydrobenzo[1,3]dioxole (22) was converted in two steps to trienes 23 and 24, which upon heating underwent intramolecular Diels-Alder reactions to give mixtures of isomeric 11,11-dimethyl-5-oxo-10,12-dioxa-4-azatetracyclo[6.5.2.0(1.6).0(9,13)]pentadec-14-ene-7-carboxylates 25, 26 and 27, 28, respectively. These products were separated and identified. For comparison, intermolecular Diels-Alder cycloaddition of diene 22 with maleic anhydride was carried out. Products of this reaction, 1-(2-azidoethyl)-4,4-dimethyl-3,5,10-trioxatetracyclo[5.5.2.0(2,6).0(8,12)]tetradec-13-ene-9,11-diones (29 and 30) were converted to methyl ester analogues of 31 and 32 in a two-step sequence. The stereochemical outcome of these cycloadditions is discussed as well as their possible utilization in organic synthesis, especially in total synthesis of some alkaloids.

Related Products of 526-95-4, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 526-95-4.

Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New Advances in Chemical Research in 2021. Category: dioxoles, While the job of a research scientist varies, most chemistry careers in research are based in laboratories, where research is conducted by teams following scientific methods and standards. 18422-53-2, Name is 1,2:4,5-Di-O-Isopropylidene-Beta-D-Erythro-2,3-Hexodiulo-2,6-Pyranose, SMILES is O=C1[C@@]2(OC[C@]3([H])[C@@]1([H])OC(C)(O3)C)OC(C)(OC2)C, belongs to dioxole compound. In a article, author is SEETHARAMAN, J, introduce new discover of the category.

The heterocyclic ring of the isoquinoline adopts a half-chair conformation and the dioxole ring an envelope conformation. The methyl group is rotated from the plane of the benzene ring attached to it by 104.2 (3)-degrees. The N atom of the heterocyclic ring is displaced from the plane of the ring by 0.606 (3) angstrom. The structure is stabilized by N-H … Br hydrogen bonds.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 18422-53-2. Category: dioxoles.

Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

Academic researchers, R&D teams, teachers, students, policy makers and the media all rely on us to share knowledge that is reliable, accurate and cutting-edge. 526-95-4, Name is Gluconic Acid (contains Gluconolactone), SMILES is O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(O)=O, in an article , author is Oishi, Takeshi, once mentioned of 526-95-4, Formula: https://www.ambeed.com/products/526-95-4.html.

In the title compound, C20H27NO6, the amide moiety is essentially planar, with a maximum deviation of 0.073 (3) angstrom, and one of the N-methyl groups shows rotational disorder. The five-membered 1,3-dioxolane ring adopts an envelope form, with the C atom bonded to the olefin side chain as the flap, which deviates from the mean plane through the other four atoms by 0.564 (7) angstrom. The 1,3-dioxole ring fused to the benzene ring adopts a flattened envelope form, with the C atom between the two O atoms as the flap, which deviates from the mean plane through the other four atoms by 0.215 (7) angstrom. The C-C=C-C olefin moiety is essentially planar and makes a dihedral angle of 87.1 (3)degrees with the benzene ring. An intramolecular O-H center dot center dot center dot O hydrogen bond supports the molecular conformation, enclosing an S(11) graph-set motif. In the crystal, intermolecular C-H center dot center dot center dot O hydrogen bonding links the molecules into a tape running along the b axis. Furthermore, other weak C-H center dot center dot center dot O hydrogen bonds and a C-H center dot center dot center dot pi interaction connect the tapes into a sheet structure parallel to (100).

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New Advances in Chemical Research in 2021. Formula: https://www.ambeed.com/products/68515-73-1.html, While the job of a research scientist varies, most chemistry careers in research are based in laboratories, where research is conducted by teams following scientific methods and standards. 68515-73-1, Name is (3R,4S,5S,6R)-2-(Decyloxy)-6-(hydroxymethyl)tetrahydro-2H-Pyran-3,4,5-triol, SMILES is O[C@H]1C(OCCCCCCCCCC)O[C@H](CO)[C@@H](O)[C@@H]1O, belongs to dioxole compound. In a article, author is Wu, Ming-Der, introduce new discover of the category.

A new benzenoid, 4-methoxy-7-methylbenzo[d][1,3]dioxol-5-ol (1) and three known secondary metabolites 2,3-dimethoxy-5-methyl[1,4]benzoquinone (2), 2-methoxy-6-methyl-1,4-benzoquinone (3) and 5-methyl-benzo[1,3]dioxole-4,7-diol (4) were isolated from the mycelia of A. cinnamomea BCRC 36799 by solid state fermentation with adlay. Their chemical structures were elucidated on the basis of HRESIMS, NMR spectroscopic data and comparison with reported values. All isolated compounds 1-4 were tested for their cytotoxicity against the six cancer cell lines using the MTT assay. Among them, compound 3 displayed significant cytotoxic effects toward all six tested cancer cell lines, with IC50 values ranging from 2.8-8.7 M in vitro.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 68515-73-1, you can contact me at any time and look forward to more communication. Formula: https://www.ambeed.com/products/68515-73-1.html.

Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem