Month: March 2022

Khan, Shafiq A.; Plieninger, Hans published an article about the compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate( cas:2199-44-2,SMILESS:O=C(C1=C(C)C=C(C)N1)OCC ).Name: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate. 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:2199-44-2) through the article.

Tripyrrincarboxylic acid I was prepared from pyrrole II by condensation with Me3CCHO and HI to give iodo derivative III which was reduced to IV. SO2Cl2 reacted with IV to give V, which was hydrolyzed to aldehydic acid VI. This condensed with 3,4-dimethyl-3-pyrrolin-2-one to pyrromethenone VII, which was decarboxylated to VIII. VI condensed with VIII to give I. Metal complexes of I are soluble in most organic solvents even after crystallization

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Thiazolidine – Wikipedia,
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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 1273-73-0, is researched, SMILESS is Br[C-]12[Fe+2]3456789([C-]%10C6=C7C8=C9%10)C1=C3C4=C25, Molecular C10BrFeJournal, Article, Organometallics called Halide-Mediated Ortho-Deprotonation Reactions Applied to the Synthesis of 1,2- and 1,3-Disubstituted Ferrocene Derivatives, Author is Zirakzadeh, Afrooz; Herlein, Alexander; Gross, Manuela A.; Mereiter, Kurt; Wang, Yaping; Weissensteiner, Walter, the main research direction is halide deprotonation disubstituted ferrocene derivative; crystal mol structure bromodiiodoferrocene.Computed Properties of C10BrFe.

The ortho-deprotonation of halide-substituted ferrocenes by treatment with lithium tetramethylpiperidide (LiTMP) has been investigated. Iodo-, bromo-, and chloro-substituted ferrocenes were easily deprotonated adjacent to the halide substituents. The synthetic applicability of this reaction was, however, limited by the fact that, depending on the temperature and the degree of halide substitution, scrambling of both iodo and bromo substituents at the ferrocene core took place. Iodoferrocenes could not be transformed selectively into ortho-substituted iodoferrocenes since, in the presence of LiTMP, the iodo substituents scrambled efficiently even at -78°, and this process had occurred before electrophiles had been added. Bromoferrocene and certain monobromo-substituted derivatives, however, could be efficiently ortho-deprotonated at low temperature and reacted with a number of electrophiles to afford 1,2- and 1,2,3-substituted ferrocene derivatives For example, 2-bromo-1-iodoferrocene was synthesized by ortho-deprotonation of bromoferrocene and reaction with the electrophiles diiodoethane and diiodotetrafluoroethane, resp. In this and related cases the iodide scrambling process and further product deprotonation due to the excess LiTMP could be suppressed efficiently by running the reaction at low temperature and in inverse mode. In contrast to the low-temperature process, at room temperature bromo substituents in bromoferrocenes scrambled in the presence of LiTMP. Chloro- and 1,2-dichloroferrocene could be ortho-deprotonated selectively, but in neither case was scrambling of a chloro substituent observed As a further application of this ortho-deprotonation reaction, a route for the synthesis of 1,3-disubstituted ferrocenes was developed. 1,3-Diiodoferrocene was accessible from bromoferrocene in four steps. On a multigram scale an overall yield of 41% was achieved. 1,3-Diiodoferrocene was further transformed into sym. 1,3-disubstituted ferrocenes (1,3-R2Fc; R = CHO, COOEt, CN, CH:CH2).

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Electric Literature of C10BrFe. 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: Bromoferrocene, is researched, Molecular C10BrFe, CAS is 1273-73-0, about Dipole moments and internal rotation in 1,1′-dihaloferrocenes.

The dipole moments of bromoferrocene, iodoferrocene, 1,1′-dibromoferrocene, and 1-1′-diiodoferrocene have been measured in C6H6. They indicate that the potential barrier between the cis and trans forms, which is very small for 1,1′-dichloroferrocene, increases for 1,1′-dibromo- and 1,1′-diiodoferrocene. The potential energy function shows min. at 36°, 108° and 180°. The differences ΔE1 = E36° – E180° for the series have been calculated on the assumption that the min. at 180° and 108° are equal. The values obtained are consistent with increasing steric hindrance in the series Cl, Br, I.

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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 Measurements of structural and quadrupole coupling parameters for bromoferrocene using microwave spectroscopy, published in 1997-11-01, which mentions a compound: 1273-73-0, mainly applied to ferrocene bromo microwave spectroscopy; quadrupole coupling bromoferrocene; rotational spectra bromoferrocene; mol structure bromoferrocene, SDS of cas: 1273-73-0.

Rotational spectra for two isotopomers of bromoferrocene were measured using pulsed-beam Fourier transform microwave spectroscopy. Transitions were observed for the 79Br and 81Br isotopomers in the 5-9 GHz range. Rotational constants and the quadrupole coupling tensors were obtained. The rotational constants and quadrupole coupling parameters for 79Br are A = 1272.110(1), B = 516.1125(2), C = 441.3775(2), eQqaa=267.16(3), eQqab=-409.81(4), and eQqbb=21.49(4), and those for 81Br are A = 1271.045(4), B = 510.0079(2), C = 436.7687(2), eQqaa=225.40(6), eQqab=-341.62(4), and eQqbb=15.65(4). The measured rotational constants were used to determine the following structural parameters of bromoferrocene: r(Fe-(C5H5))=1.63(2), r(Fe-(C5H4Br))=1.67(3), r(C-Br)=1.875(11), and r(C-C)=1.433(1) A. The values of the quadrupole coupling parameters in the principal quadrupole axis systems and the C-Br bond axis systems are compared with similarly derived parameters for chloroferrocene, chlorobenzene, and bromobenzene. Previous data for chloroferrocene was reanalyzed to obtain refined quadrupole parameters.

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Electric Literature of C9H13NO2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, is researched, Molecular C9H13NO2, CAS is 2199-44-2, about Synthesis and properties of (1,2,3,7,9-pentamethyldipyrrolylmethen-8-yl)-(1,2,3,7,8-pentamethyldipyrrolylmethen-9-yl)methane and bis(1,2,3,7,9-pentamethyldipyrrolylmethen-8-yl)trifluoromethylmethane dihydrobromides. Author is Berezin, M. B.; Semeikin, A. S.; Yutanova, S. L.; Antina, E. V.; Guseva, G. B.; V’yugin, A. I..

(1,2,3,7,9-Pentamethyldipyrrolylmethen-8-yl)(1,2,3,7,8-pentamethyldipyrrolylmethen-9-yl)-methane and bis(1,2,3,7,9-pentamethyldipyrrolylmethen-8-yl)trifluoromethylmethane hydrobromides were synthesized and characterized spectrally (1H NMR, IR, electron absorption spectra). A comparative study was performed of the effect of the bonding site (α- or β-position of the dipyrrolylmethene) with the methane structural fragment connecting two dipyrrolylmethene chromophores, and trifluoromethyl group on the spectral properties of the mols. of compounds dissolved in organic solvents of different nature and their resistance to thermal oxidative degradation

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Reference:
Thiazolidine – Wikipedia,
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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Bromoferrocene( cas:1273-73-0 ) is researched.Computed Properties of C10BrFe.Lee, Mei Tsu; Foxman, Bruce M.; Rosenblum, Myron published the article 《Cofacial metallocenes. Synthesis and crystal structure of 1,8-diferrocenylnaphthalene》 about this compound( cas:1273-73-0 ) in Organometallics. Keywords: crystal structure ferrocenylnaphthalene syn preparation; mol structure ferrocenylnaphthalene syn preparation; cyclic voltammetry ferroenylnaphthalene syn preparation; ferrocenylnaphthalene crystal structure oxidation preparation; diferrocenylnaphthylene crystal structure oxidation preparation; naphthalene diferrocenyl crystal structure oxidation. Let’s learn more about this compound (cas:1273-73-0).

The optimal synthesis of 1,8-differocenylnaphthalene (I) was the coupling of 1,8-diiodonaphthalene and ferrocenylzinc chloride in the presence of ferrocenylphosphine-containing catalyst PdLCl2, giving 58% of I with 94% selectivity. The x-ray crystal structure of I showed that the naphthalene ring and bonds from the peri-C atoms to the cyclopentadienyl rings were highly distorted. The 2 substituted cyclopentadienyl rings were rotated by ∼46° from the perpendicular to the naphthalene ring. Cyclic voltammetry of I showed 2 reversible, one-electron waves. The monocation I+BF4- derived by oxidation of I with AgBF4, had an intervalence transfer band at 1600 nm (εmax 200), not shown by the corresponding dication of I. I+ was best represented as a weakly interacting mixed-valence system.

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Reference:
Thiazolidine – Wikipedia,
Thiazolidine – ScienceDirect.com

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, is researched, Molecular C9H13NO2, CAS is 2199-44-2, about Pyrrole chemistry. An improved synthesis of ethyl pyrrole-2-carboxylate esters from diethyl aminomalonate, the main research direction is pyrrolecarboxylate; diketone aminomalonate cyclocondensation.HPLC of Formula: 2199-44-2.

Pyrrole-2-carboxylates I (R = Me, Et; R1 = H, Me, Et, Pr, CH2CO2Me, CH2CH2CO2Me; R2 = Me, Et, Pr, CH2CH2CO2Et), versatile precursors for the total synthesis of both synthetic model and naturally occurring tetrapyrroles and porphyrins, were prepared in greatly improved yields by the addition of RCOCHR1COR2 and H2NCH(CO2)Et)2 to AcOH. The method is suitable for both small- and large-scale synthesis and has proved far more reliable than the in situ Zn reduction of HON:C(CO2Et)2. Yields range from 60-70% for the dominant product isomer from unsym. diketones to 75-90% for the single product derived from sym. diketones. RCOCHR1COR2 were prepared by treating RCOCHR1 with (R2CO)2O in the presence of BF3.

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Thiazolidine – Wikipedia,
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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Bromoferrocene( cas:1273-73-0 ) is researched.Electric Literature of C10BrFe.Zhang, Lei; Liu, Jin-ting published the article 《Synthesis and crystal structure of single butterfly-shaped cluster [(μ-FcS)(μ-SMe)Fe2(CO)6]》 about this compound( cas:1273-73-0 ) in Hecheng Huaxue. Keywords: hydrogenase mimic sulfur iron ferrocene crystal mol structure; crystal mol structure carbonyl ferrocenylsulfido methylsulfido iron preparation. Let’s learn more about this compound (cas:1273-73-0).

A novel single butterfly-shaped cluster, (μ-FcS)(μ-SMe)Fe2(CO)6 (1), was synthesized by the reaction of ferrocenyl Mg bromide (FcMgBr) with (μ-S2)Fe2(CO)6 and MeI. The structure was characterized by 1H NMR, IR, elemental anal. and x-ray single crystal diffraction. Comples 1 belongs to orthorhombic space group Pna21 with a 12.707(2), b 11.355(2), c 27.621(5) Å, V = 3,985.1(12) Å3, Z = 8, Dc = 1.813 g cm-3, μ = 2.395 mm-1, F(000) = 2,176, R1 = 0.059 7, wR2 = 0.136 7.

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Reference:
Thiazolidine – Wikipedia,
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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate(SMILESS: O=C(C1=C(C)C=C(C)N1)OCC,cas:2199-44-2) is researched.Reference of Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate. The article 《Direct synthesis of β-alkenylpyrroles by Pd(II)-catalyzed addition of pyrroles to alkynoates》 in relation to this compound, is published in Chemistry Letters. Let’s take a look at the latest research on this compound (cas:2199-44-2).

β-Alkenylpyrroles were prepared directly by Pd(II)-catalyzed addition of pyrroles to alkynoates at room temperature This procedure was applied to direct synthesis of a β-alkenylpyrrole, the pyrrole fragment of hemin.

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Reference:
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Staples, Oliver D.; Hollick, Jonathan J.; Campbell, Johanna; Higgins, Maureen; McCarthy, Anna R.; Appleyard, Virginia; Murray, Karen E.; Baker, Lee; Thompson, Alastair; Ronseaux, Sebastien; Slawin, Alexandra M. Z.; Lane, David P.; Westwood, Nicholas J.; Lain, Sonia published the article 《Characterization, chemical optimization and anti-tumor activity of a tubulin poison identified by a p53-based phenotypic screen》. Keywords: JJ781 derivative antitumor design preparation structure activity p53 tubulin.They researched the compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate( cas:2199-44-2 ).Reference of Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:2199-44-2) here.

A robust p53 cell-based assay that exploits p53’s function as a transcription factor was used to screen a small mol. library and identify bioactive small mols. with potential antitumor activity. Unexpectedly, the majority of the highest ranking hit compounds from this screen arrest cells in mitosis and most of them impair polymerization of tubulin in cells and in vitro. One of these novel compounds, JJ78:1, was subjected to structure-activity relationship studies and optimized leading to the identification of JJ78:12. This mol. is significantly more potent than the original hit JJ78:1, as it is active in cells at two-digit nanomolar concentrations and shows clear antitumor activity in a mouse xenograft model as a single agent. The effects of nocodazole, a well established tubulin poison, and JJ78:12 on p53 levels are remarkably similar, supporting that tubulin depolymerization is the main mechanism by which JJ78:12 treatment leads to p53 activation in cells. In summary, these results identify JJ78:12 as a potential cancer therapeutic, demonstrate that screening for activators of p53 in a cell-based assay is an effective way to identify inhibitors of mitosis progression and highlights p53’s sensitivity to alterations during mitosis.

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Reference:
Thiazolidine – Wikipedia,
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