Heterocyclic Building Blocks-Benzisoxazole

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 3326-71-4, is researched, Molecular C5H6N2O2, about On the importance of antiparallel π-π interactions in the solid state of isatin-based hydrazides, the main research direction is hydrazone preparation crystal structure pi stacking interaction energy.Recommanded Product: 2-Furoic hydrazide.

The condensation of N-Pr isatin (1) with different carboxylic acid hydrazides (RCONHNH2 (2-6), R = arene) via sonication was used to synthesize five new hydrazones (7-11). Fully characterized mol. structures were further studied by single-crystal X-ray diffraction showing them to be Z-(syn-) form with respect to the hydrazoic C=N bond. In the crystal structures, hydrogen bonds and π-stacking interactions are described and analyzed by means of d. functional theory (DFT) calculations since they play a crucial role in the construction of three-dimensional supramol. frameworks. Moreover, the noncovalent interactions have been characterized using the NCIplot index. Remarkably, the π-system of the substituted isatin ring presents a dual character (acidic/basic), thus promoting the formation of the antiparallel π-stacking assemblies to maximize electron donor-acceptor π-π interactions. Moreover, interesting cooperativity effects have been studied since the presence of an intramol. H-bonding interaction enhances the strength of the π-π interactions as shown by DFT calculations

There is still a lot of research devoted to this compound(SMILES：O=C(C1=CC=CO1)NN)Recommanded Product: 2-Furoic hydrazide, and with the development of science, more effects of this compound(3326-71-4) can be discovered.

Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Deciphering of Ligand-to-Metal Charge-Transfer Process: Synthesis, Spectroscopic and Theoretical Study, published in 2019, which mentions a compound: 3326-71-4, mainly applied to Schiff base metal ion sensing fluorescence density functional theory, Name: 2-Furoic hydrazide.

Many reports on metal ion sensing applications are available in literature but the mechanism of selectivity is not clear. Here the synthesis and characterization of a Schiff base Furan-2-carboxylic acid pyren-1-ylmethylene-hydrazide (PYFH) has been described with selective detection of copper(II) metal ion among different metal ions by UV-vis, fluorescence and HRMS spectroscopic methods. The S2- ion (Na2S) was added to the PYFH:Cu2+ complex for checking reversibility of PYFH by fluorescence, fluorescence microscopic imaging and mol. logic gate construction (combination of NOT and OR gate). From the exptl. findings the reason for selectivity of Cu2+ metal ion among a series of metal ions is not clear. So, to explore the causes of selectivity of Cu2+ metal ion by PYFH, D. Functional Theory (DFT) calculation was conducted for free PYFH and various sets of metal ions individually with PYFH. From DFT calculation it was understandable that selectivity of PYFH towards Cu2+ ions occurred due to lowering of HOMO-LUMO energy of PYFH:Cu2+ composites (-8.46 & -5.80 eV) compared to free PYFH (-5.56 & -2.15 eV). Whereas energy of HOMO and LUMO with other metals ions (PYFH:Mn+) are ∼-5.50 and ∼-2.24 eV resp., as a result PYFH does not get any extra stability.

There is still a lot of research devoted to this compound(SMILES：O=C(C1=CC=CO1)NN)Name: 2-Furoic hydrazide, and with the development of science, more effects of this compound(3326-71-4) can be discovered.

Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Design and synthesis of 7-diethylaminocoumarin-based 1,3,4-oxadiazole derivatives with anti-acetylcholinesterase activities, published in 2021, which mentions a compound: 3326-71-4, mainly applied to diethylaminocoumarinyl oxadiazole preparation acetylcholinesterase inhibition SAR docking; 1,3,4-oxadiazole; Coumarin; acetylcholinesterase inhibitor; molecular docking, Safety of 2-Furoic hydrazide.

Twelve novel 7-diethylaminocoumarin-based 1,3,4-oxadiazole derivatives I [R = n-Bu, 2-thienyl, Ph, etc.] were synthesized via iodine-mediated oxidative cyclization and confirmed by 1H NMR, 13C NMR and HRMS. The synthesized derivatives I were tested against in-vitro acetylcholinesterase inhibitory activity and results showed that compounds I [R = 4-ClC6H4, 4-BrC6H4] exhibited moderate inhibitory activities with 69.19% and 65.06%, resp. The preliminary structure-activity relationships revealed that introduction of halogen atom on the para-position of Ph of compounds I could enhance their activities. Mol. docking study suggested that compound I [R = ClC6H4] possessed an optimal docking pose with interactions inside AChE.

If you want to learn more about this compound(2-Furoic hydrazide)Safety of 2-Furoic hydrazide, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3326-71-4).

Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Computed Properties of C6H10O3. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Methyl tetrahydrofuran-2-carboxylate, is researched, Molecular C6H10O3, CAS is 37443-42-8, about Selective hydrogenolysis of 2-furancarboxylic acid to 5-hydroxyvaleric acid derivatives over supported platinum catalysts. Author is Asano, Takehiro; Takagi, Hiroshi; Nakagawa, Yoshinao; Tamura, Masazumi; Tomishige, Keiichi.

The conversion of 2-furancarboxylic acid (FCA), which is produced by oxidation of furfural, to 5-hydroxyvaleric acid (5-HVA) and its ester/lactone derivatives with H2 was investigated. Monometallic Pt catalysts were effective, and other noble metals were not effective due to the formation of ring-hydrogenation products. Supports and solvents had a small effect on the performance; however, Pt/Al2O3 was the best catalyst and short chain alcs. such as methanol were better solvents. The optimum reaction temperature was about 373 K, and at higher temperature the catalyst was drastically deactivated by deposition of organic materials on the catalyst. The highest yield of target products (5-HVA, δ-valerolactone (DVL), and Me 5-hydroxyvalerate) was 62%, mainly obtained as Me 5-hydroxyvalerate (55% yield). The byproducts were mainly ring-hydrogenation compounds (tetrahydrofuran-2-carboxylic acid and its ester) and undetected ones (loss of carbon balance). The catalyst was gradually deactivated during reuses even at a reaction temperature of 373 K; however, the catalytic activity was recovered by calcination at 573 K. The reactions of various related substrates were carried out, and it was found that the O-C bond in the O-C=C structure (1,2,3-position of the furan ring) is dissociated before C=C hydrogenation while the presence and position of the carboxyl group (or methoxy carbonyl group) much affect the reactivity.

If you want to learn more about this compound(Methyl tetrahydrofuran-2-carboxylate)Computed Properties of C6H10O3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(37443-42-8).

Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Reaction of methyl tetrahydropyromucate with aniline. XXXI》. Authors are Yur’ev, Yu. K.; Vendel’shtein, E. G..The article about the compound:Methyl tetrahydrofuran-2-carboxylatecas:37443-42-8,SMILESS:O=C(C1OCCC1)OC).Recommanded Product: 37443-42-8. Through the article, more information about this compound (cas:37443-42-8) is conveyed.

Passage of Me 2-furoate in a H atm. over Pd-asbestos at 160° gave 78% Me tetrahydro-2-furoate, b736 179.5-80.5°, n20D 1.4371, d204 1.1080. This (10 g.) and 27 g. PhNH2 passed in a N atm. over Al2O3 at 360° gave CO2, 14 g. PhNH2, and 1.5 g. 1-phenylpyrrolidine, b4 104-5°, n20D 1.5840, d204 1.0164; picrate, m. 116°. Passage of the ester at 360° over Al2O3 in a N atm. gave CO2, propene, and MeOH. Hydrolysis of the ester with 2 N NaOH 4 hrs. at reflux gave 76% free acid, a sirupy microcrystalline mass; this heated to 270-80° begins to lose CO2, which occurs freely at 300-5°, yielding furanidine, b755 65°, n20D 1.4088, d204 0.8899.

If you want to learn more about this compound(Methyl tetrahydrofuran-2-carboxylate)Recommanded Product: 37443-42-8, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(37443-42-8).

Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Recommanded Product: cis-Cyclohexane-1,2-dicarboxylic acid. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: cis-Cyclohexane-1,2-dicarboxylic acid, is researched, Molecular C8H12O4, CAS is 610-09-3, about Construction of coordination frameworks based on 4-imidazolyl tecton 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylic acids. Author is Chen, Shui-Sheng; Zhao, Yue; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Chen, Zhi-Hao; Sun, Wei-Yin.

Nine new coordination polymers [Mn(L)(OX)] (1), [Zn(L)(MBDC)] (2), [Zn(L)(BPDA)] (3), [Co3(L)2(BTA)2]·2H2O (4), [Co2(L)2(BTCA)]·2H2O (5), [Ni(L)(e,a-cis-1,2-CHDC)]·2H2O (6), [Co(L)(e,a-cis-1,4-CHDC)] (7), [Co(L)(e,e-trans-1,4-CHDC)]·2H2O (8) and [Co(L)(e,e,e-cis-1,3,5-HCHTC)]·0.45H2O (9) were obtained by reactions of varied metal salts with 1,4-di(1H-imidazol-4-yl)benzene (L) in the presence of corresponding auxiliary ligands of oxalic acid (H2OX), 5-methyl-1,3-benzenedicarboxylic acid (H2MBDC), 4,4′-biphenyldicarboxylic acid (H2BPDA), benzene-1,3,5-triacetic acid (H3BTA), 1,2,4,5-benzenetetracarboxylic acid (H4BTCA), cis-1,2-cyclohexanedicarboxylic acid (cis-1,2-H2CHDC), cis-/trans-1,4-cyclohexanedicarboxylic acid (cis-/trans-1,4-H2CHDC) and cis-1,3,5-cyclohexane tricarboxylic acid (cis-1,3,5-H3CHTC), resp. Complex 1 has a one-dimensional (1D) chain structure and 2 has a two-dimensional (2D) network with 63-hcb topol. Complex 3 is a complicated uninodal 4-connected three-dimensional (3D) net with Point (Schlaefli) symbol (4.6.83·10)(4.63·82)(63·103)(64·82) while 4 is a (3,8)-connected tfz-d 3D net with Point (Schlaefli) symbol (43)2(46·618·84) based on the trinuclear Co(II) secondary building units (SBUs). Complex 5 is a 3-fold interpenetrating mog net with Point (Schlaefli) symbol of (4.64·8)2(42·62·82), while 6 is a 2D net with (4,4) topol. based on binuclear SBUs. In contrast to the 2D network of 7 with e,a-cis-1,4-CHDC2-, 8 with e,e-trans-1,4-CHDC2- is a 5-fold interpenetrating 66-dia 3D net. Complex 9 has a 1D ladder-like chain structure with a stable conformation from the e,e,e-cis-1,3,5-HCHTC2- ligand. Complexes 2 and 3 exhibit intense light blue emission in the solid state at room temperature and the results of magnetic measurements showed that there are antiferromagnetic interactions in 1.

If you want to learn more about this compound(cis-Cyclohexane-1,2-dicarboxylic acid)Recommanded Product: cis-Cyclohexane-1,2-dicarboxylic acid, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(610-09-3).

Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Mhaidat, I.; Taha, Z. A.; Al Momani, W.; Hijazi, A. K. researched the compound: 2-Furoic hydrazide( cas:3326-71-4 ).COA of Formula: C5H6N2O2.They published the article 《Photoconductivity, Antioxidant, and Antimicrobial Activities of Some Acenaphthenequinone Derivatives》 about this compound( cas:3326-71-4 ) in Russian Journal of General Chemistry. Keywords: acenaphthenequinone preparation antibacterial antioxidant activity photoconductivity. We’ll tell you more about this compound (cas:3326-71-4).

Photoconductive acenaphthenequinone derivatives I (R = thiophen-2-yl, 3-hydroxynaphthalen-2-yl, pyridin-4-yl, etc.) have been synthesized by a one-pot process of acenaphthenequinone with different aromatic hydrazides RC(O)NHNH2. Photoelectrochem. (PEC) measurements reveal that the compounds demonstrate photoresponse upon illumination by light of intensities 1000 and 10000 W/m2. The photoconductivity behavior of the derivatives I is enhanced in the presence of electron donor groups attached to the aromatic ring. Thereby, these products may be used in material devices as organic thin film transistors, on/off sensors, etc. The antioxidant activity of the products has been tested by DPPH radical scavenging method in vitro, indicating their significant potential. Antimicrobial activity of the derivatives I has been estimated by min. inhibitory concentration (MIC, mg/mL) using the micro-broth dilution method. The compounds are moderately active against some Gram pos. bacteria and Candida albicans and completely inactive against Gram neg. bacteria tested.

If you want to learn more about this compound(2-Furoic hydrazide)COA of Formula: C5H6N2O2, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3326-71-4).

Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: cis-Cyclohexane-1,2-dicarboxylic acid( cas:610-09-3 ) is researched.Electric Literature of C8H12O4.Salakhov, M. S.; Israfilov, A. I.; Shamilov, T. O. published the article 《Stereochemistry of cyclic dicarboxylic acids studies by potentiometric titration. IV. Effect of the composition and dielectric constant of acetone-water solutions on the ionization constants of cis- and trans-1,2-dicarboxylic acids》 about this compound( cas:610-09-3 ) in Azerbaidzhanskii Khimicheskii Zhurnal. Keywords: cyclic acid ionization configuration. Let’s learn more about this compound (cas:610-09-3).

Ionization constants of cis and trans isomers of 1,2-cyclohexanedicarboxylic acid, 4-cyclohexene-1,2-dicarboxylic acid, 1-methyl-4-cyclohexene-1,2-dicarboxylic acid, 5-norbornene-2,3-dicarboxylic acid, and 1,2,3,4,9,9-hexachloro-1,4,4a,5,6,7,8,8a-octahydro-1,4-methanonaphthalene-2,3-dicarboxylic acid, cis-3-methyl-4-cyclohexene-1,2-dicarboxylic acid, and cis-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylic acid were determined and correlated with configuration and solvent composition

If you want to learn more about this compound(cis-Cyclohexane-1,2-dicarboxylic acid)Electric Literature of C8H12O4, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(610-09-3).

Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 442903-28-8, is researched, Molecular C7H5Cl2NO2, about Assembly of multicyclic isoquinoline scaffolds from pyridines: formal total synthesis of fredericamycin A, the main research direction is multicyclic isoquinoline preparation; fredericamycin A total synthesis.Product Details of 442903-28-8.

The construction of an isoquinoline skeleton typically starts with benzene derivatives as substrates with the assistance of acids or transition metals. Disclosed here is a concise approach to prepare isoquinoline analogs by starting with pyridines to react with β-ethoxy α,β-unsaturated carbonyl compounds under basic conditions. Multiple substitution patterns and a relatively large number of functional groups (including those sensitive to acidic conditions) can be tolerated the method. In particular, protocol allows for efficient access to tricyclic isoquinolines found in hundreds of natural products with interesting bioactivities. The efficiency and operational simplicity of introducing structural complexity into the isoquinoline frameworks can likely enable the collective synthesis of a large set of natural products. Here show that fredericamycin A could be obtained via a short route by using isoquinoline synthesis as a key step.

If you want to learn more about this compound(Methyl 2,4-dichloronicotinate)Product Details of 442903-28-8, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(442903-28-8).

Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The configuration of polymethylenedicarboxylic acids. I. The dissociation constants of the cyclohexanedicarboxylic acids》. Authors are Kuhn, Richard; Wassermann, Albert.The article about the compound:cis-Cyclohexane-1,2-dicarboxylic acidcas:610-09-3,SMILESS:O=C([C@H]1[C@@H](C(O)=O)CCCC1)O).Computed Properties of C8H12O4. Through the article, more information about this compound (cas:610-09-3) is conveyed.

The 1st and 2nd dissociation constants for the cyclohexanedicarboxylic acids in water and in 50% MeOH are given as follows (-log K, -log K2 and K1/K2, resp.): In H2O: o-cis, 4.34 (19°), 6.76 (19°), 267; o-trans, 4.18 (18°), 5.93 (19°), 56; m-cis, 4.10 (16°), 5.46 (16°), 23; m-trans, 4.31 (19°), 5.73 (19°), 26; p-cis, 4.44 (20°), 5.79 (19°), 22; p-trans, 4.18 (16°), 5.42 (19°), 17. In 50% MeOH: o-cis, 5.26 (18°), 8.20 (18°), 885; o-trans, 5.38 (18°), 7.31 (18°), 85; m-cis, 5.25 (17°), 6.83 (17°), 38; m-trans, 5.48 (19°), 7.40 (19°), 83; p-cis, 5.59 (19°), 7.15 (19°), 36; p-trans, 5.32 (18°), 6.81 18°), 30. The configurations of the various isomeric forms of the hexahydrophthalic acids are graphically presented.

If you want to learn more about this compound(cis-Cyclohexane-1,2-dicarboxylic acid)Computed Properties of C8H12O4, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(610-09-3).

Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics