Tag: M.W=100-200

Synthetic Route of C7H12O3. 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: Ethyl 3-Ethoxy-2-Propenoate, is researched, Molecular C7H12O3, CAS is 1001-26-9, about Anticoccidial activity of 1-phenyluracils. Author is Miller, Max W.; Chappel, Larry R..

The title compounds I (R = H, 4-ClC6H4O, 4-ClC6H4S, or 4-ClC6H4SO2; R1 = Cl or Me; R2 = H, Cl, or Me) were prepared from Et 3,3-diethoxypropionate  [10601-80-6] by known methods via 3-ethoxy-2-propenoyl isocyanate  [57796-78-8] and its reaction products (ureas) with substituted anilines, and tested against Eimeria tenella in Leghorn cockerels. 1-[3-Chloro-5-methyl-4-[(4-chlorophenyl)thio]phenyl]uracil (I; R = 4-ClC6H4S; R1 = Cl; R2 = Me) [76993-09-4] was effective at 60 ppm. I were less active than the corresponding 1-phenyl-6-azauracils, and less acidic.

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Reference:
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Asahara, Teruzo; Seno, Manabu; Tsuchiya, Mitsuru published an article about the compound: Ethyl 3-Ethoxy-2-Propenoate( cas:1001-26-9,SMILESS:O=C(OCC)/C=C/OCC ).SDS of cas: 1001-26-9. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:1001-26-9) through the article.

The Hueckel M.O. method was used to calculate energy levels of vinyl compounds; CH2:CHCN, CH2:CMeCN, Me2C:CHCN, MeCH:CHCN, EtCH:CHCN, CH2:CHCO2Et, Me2C:CHCO2Et, EtOCH:CHCO2Et, trans-BuEtCHCH2O2CCH:CHCO2CH2CHEtBu, MeCH:C(CO2Et)2, PhCH:CHCO2Et, PhCH:CHCN, PhCH:C(CO2Et)2. It is shown that the lower the energies of lowest vacant M.O. (or the higher the electron affinities) the higher the yields of dimers of the vinyl compounds from electrode reactions. Also the higher the π-bond order the lower the yields of dimers.

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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.Lavrard, Hubert; Larini, Paolo; Popowycz, Florence researched the compound: Ethyl 3-Ethoxy-2-Propenoate( cas:1001-26-9 ).Safety of Ethyl 3-Ethoxy-2-Propenoate.They published the article 《Superacidic Cyclization of Activated Anthranilonitriles into 2-Unsubstituted-4-aminoquinolines》 about this compound( cas:1001-26-9 ) in Organic Letters. Keywords: aminoquinoline preparation superacidic cyclization activated anthranilonitrile; condensation anthranilonitrile trichloroethoxybutenone theor investigation. We’ll tell you more about this compound (cas:1001-26-9).

4-Aminoquinolines were prepared in a three-step synthesis starting from substituted anthranilonitriles. The condensation on 1,1,1-trichloro-4-ethoxybut-3-enone proceeded efficiently either neat or in refluxing EtOH. Cyclization in superacidic trifluoromethanesulfonic acid provided unstable intermediate, which upon treatment with NaOEt in ethanol, afforded the expected esters. Theor. investigations pointed out a monoprotonated nitrilium as the reactive species during the cyclization process.

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Reference:
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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Visnik Kharkivs’kogo Natsional’nogo Universitetu im. V. N. Karazina called Synthesis and 1,3-dimethylation of 5-ethoxycarbonyl-4-phenyl-3,4-dihydropyrimidin-2-(1H)-one, Author is Kolosov, M. A.; Al-Ogaili, M. J. K.; Orlov, V. D., which mentions a compound: 1001-26-9, SMILESS is O=C(OCC)/C=C/OCC, Molecular C7H12O3, Recommanded Product: Ethyl 3-Ethoxy-2-Propenoate.

1,3-Dimethylation of 5-ethoxycarbonyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one can be carried out in one stage, using the system DMF-NaH and the excess of Mel. It is shown, that 5-ethoxycarbonyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one can be obtained with a good yield (55%) by reflux of Et 3,3-diethoxypropanoate, urea and benzaldehyde in acetic acid. The conditions of the protocol for the synthesis of Et 3,3-diethoxypropanoate starting from bromoacetic ester and ortho-formic ester by modified Reformatskii reaction were optimized.

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Reference:
Bromide – Wikipedia,
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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, Non-U.S. Gov’t, Magnetic Resonance in Chemistry called Determining and reporting purity of organic molecules: why qNMR, Author is Mahajan, Shivani; Singh, Inder Pal, which mentions a compound: 33216-52-3, SMILESS is C1=NC=C(C(=C1Cl)Cl)Cl, Molecular C5H2Cl3N, Electric Literature of C5H2Cl3N.

Although NMR was routinely used to determine/estimate relative number of protons for structure elucidation, it was rarely used to determine and report the purity of organic compounds Through this paper, the authors want to emphasize on routine use of quant. NMR (qNMR) for this purpose. The results of qNMR can be routinely considered as documentation of purity much like other established methods (HPLC, elemental anal. and DSC). qNMR is a fast, easy, accurate and nondestructive alternate to speed up the whole anal. process and serves the purpose of both identification and purity determination of compounds using single technique. Copyright © 2012 John Wiley and Sons, Ltd.

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Category: bromides-buliding-blocks. 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. Compound: Ethyl 3-Ethoxy-2-Propenoate, is researched, Molecular C7H12O3, CAS is 1001-26-9, about New preparations of ethyl 3,3-diethoxypropionate and ethoxycarbonylmalondialdehyde. Copper(I) catalyzed acetal formation from a conjugated triple bond.

(EtO)2CHCH2CO2Et is conveniently prepared in 86% yield by treating HCCCO2Et with CuO3SCF3 in absolute EtOH 4 days at room temperature This product is converted into EtO2CCH(CHO)2 in 75% yield by reaction with 10 equiv HCO2Et and 1.2 equiv NaH.

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Bromide – Wikipedia,
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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 3,4,5-Trichloropyridine(SMILESS: C1=NC=C(C(=C1Cl)Cl)Cl,cas:33216-52-3) is researched.Product Details of 837-52-5. The article 《Polymeric versus monomeric and tetrahedral versus octahedral coordination in zinc(II) pyridine complexes》 in relation to this compound, is published in CrystEngComm. Let’s take a look at the latest research on this compound (cas:33216-52-3).

The preparation and crystal structures of eight zinc halo complexes with pyridine derivatives (ZnX2Ln, n = 1,2) is reported. The 1st 1-dimensional chain polymers [Zn(μ-Cl)2py]∞ (py = 3,5-dichloropyridine and 3,5-dibromopyridine) were synthesized by reaction of the 3,5-dihalopyridines with ZnCl2. In the resulting linear coordination polymer octahedral Zn(II) centers are linked in an edge-sharing fashion by halogen bridges in their pseudo-equatorial plane. In contrast to these findings the analogous reaction between ZnBr2 and the 3,5-dihalopyridines gave mononuclear tetrahedral complexes. Both of the Zn dihalides react with 3,4,5-trichloropyridine with formation of isotypic mol. crystals which show relatively short halogens···halogen contacts; their projections along the [001] direction exhibit a remarkable similarity to those of the chain polymers. From ZnX2 (X = Cl, Br) and 4,4′-bipyridyl (bpy) a zigzag chain coordination polymer [ZnX2(μ-bpy)]∞ was obtained.

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Bromide – Wikipedia,
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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: 33216-52-3, is researched, Molecular C5H2Cl3N, about Deprotonative Metalation of Chloro- and Bromopyridines Using Amido-Based Bimetallic Species and Regioselectivity-Computed CH Acidity Relationships, the main research direction is chloro bromopyridine deprotometalation amidobimetal regioselectivity CH acidity relationship computation.COA of Formula: C5H2Cl3N.

A series of chloro- and bromopyridines have been deprotometalated by using a range of 2,2,6,6-tetramethylpiperidino-based mixed lithium-metal combinations. Whereas lithium-zinc and lithium-cadmium bases afforded different mono- and diiodides after subsequent interception with iodine, complete regioselectivities were observed with the corresponding lithium-copper combination, as demonstrated by subsequent trapping with benzoyl chlorides. The obtained selectivities have been discussed in light of the CH acidities of the substrates, determined both in the gas phase and as a solution in THF by using the DFT B3LYP method.

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Reference:
Bromide – Wikipedia,
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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: 1001-26-9, is researched, Molecular C7H12O3, about Synthesis of the carbocyclic analogs of uracil nucleosides, the main research direction is nucleoside carbocyclic analog; uridine carbocyclic analog; leukemia treatment nucleoside.Application of 1001-26-9.

Treatment of hydroxyl derivatives of cis-3-aminocyclopentanemethanol with 3-ethoxyacryloyl isocyanate gave N-(3-ethoxyacryloyl)-N’-[hydroxy- or dihydroxy(hydroxymethyl)cyclopentyl]ureas. Cyclization of the ureas in dilute H2SO4 afforded high yields of the carbocyclic analogs I (R = OH, R1 = H; R = R1 = OH; R = H, R1 = OH) of uridine, 2′-deoxyuridine, and 3′-deoxyuridine. The uridine and 3′-deoxyuridine analogs were also obtained in good yields by cyclizing the ureas in concentrated aqueous NH3. None of the 3 analogs showed activity in tests vs. KB cells in culture or L1210 leukemia in vivo.

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Bromide – Wikipedia,
bromide – Wiktionary

Reference of 3,4,5-Trichloropyridine. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 3,4,5-Trichloropyridine, is researched, Molecular C5H2Cl3N, CAS is 33216-52-3, about Additivity of substituent effects on the proton affinity and gas-phase basicity of pyridines. Author is Ebrahimi, A.; Habibi-Khorasani, S. M.; Jahantab, M..

The change in the proton affinity (PA) and basicity (GB) of pyridine with substituents have been considered by quantum mech. methods at the B3LYP/6-311++G(d,p) level of theory. The PA and GB values increase by the electron-donating substituents and decrease by the electron-withdrawing substituents. The effects of substituents on the PA and GB are approx. additive. The deviations of changes that are predicted from the additivity of substituent effects are generally lower than 30% from the calculated changes. Linear relationships are observed between the calculated PA values of substituted pyridines and the topol. properties of electron d., the mol. electrostatic potentials (MEP), and the N-H bond lengths. In addition, well-defined relations are established between the calculated PA values and the Hammett constants, and the reaction constant (ρ) has been calculated for the protonation reaction. With some exceptions, the effect of substituents are also additive on the electron d. and its Laplacian calculated at N-H BCP, and the MEP values calculated around the N atom.

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Reference:
Bromide – Wikipedia,
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