Month: April 2022

Reference of 3-Methyl-1H-pyrrole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about β-Electrophilic Additions of Pentaammineosmium(II) η2-Pyrrole Complexes. Author is Hodges, L. Mark; Gonzalez, Javier; Koontz, Jason I.; Myers, William H.; Harman, W. Dean.

The reactivity of pyrrole complexes [Os(NH3)5(4,5-η2-L)]2+(OTf)2 (L = pyrrole and alkylated pyrroles, e.g., I, R = H, Me) is surveyed with various electrophiles. The pyrrole ligand undergoes alkylation or acylation with a wide variety of electrophiles (e.g., acids, alkyl triflates, anhydrides, aldehydes, ketones, and Michael acceptors) predominately at the β-position. Depending on reaction conditions, the resulting products are either β-substituted 1H-pyrrole or 3H-pyrrolium complexes, the latter of which resist rearomatization due to the electron-donating properties of the metal. In all cases observed, the initial addition of the electrophile occurs on the ring face anti to Os coordination. The Os(II)-4,5-η2-pyrrole complexes are each in dynamic equilibrium with a minor isomer where the metal binds across C(3) and C(4). In this form, the uncoordinated portion of the pyrrole ring resembles an azomethine ylide, which can undergo a 1,3-dipolar cycloaddition reaction with certain electrophiles. The resulting 7-azanorbornene complexes may be ring-opened with Lewis acids to generate α-substituted 2H-pyrrolium complexes. As with the 3H-pyrrolium species, the 2H-pyrrolium complexes are stabilized by metal coordination and thereby resist rearomatization. The selectivity between Michael addition and dipolar cycloaddition depends on the pyrrole, electrophile, solvent, temperature, the presence of Lewis acids, and in some cases, concentration The iminium C of both 2H- and 3H-pyrrolium tautomers is considerably less electrophilic than its organic analogs, but readily undergoes borohydride reduction to form complexes of 3- and 2-pyrrolines, resp. When pyrrole complexes are combined with alkyne Michael acceptors, the intermediate enolate can be trapped by the iminium C of the 3H-pyrrolium species in DMSO to form a metalated cyclobutene derivative, e.g., II (R1 = COMe, R2 = H; R1 = CO2Me). Decomplexation of most pyrrole and 3-pyrroline derivatives can be accomplished in good yield either by heating or by oxidation of the metal (CeIV or DDQ). Complexes of 2-pyrrolines are considerably more difficult to remove from the metal; however, quaternization or acylation of the nitrogen facilitates their decomplexation.

There is still a lot of research devoted to this compound(SMILES：CC1=CNC=C1)Reference of 3-Methyl-1H-pyrrole, and with the development of science, more effects of this compound(616-43-3) can be discovered.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

COA of Formula: C6Cl2N4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Multivalent Allyl-Substituted Macrocycles as Nonaggregating Building Blocks. Author is Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad.

Based on the concept of dual-directionality, the synthesis of two novel zinc(II)-containing phthalocyanine (Pc-ene1) and azaphthalocyanine (AzaPc-ene1) macrocycles bearing dual directional (up/down) allyl moieties on their rims is reported. Their structural identification, i.e., NMR, FT-IR, UV-vis, MALDI-TOF spectral data, single crystal x-ray diffraction, and CHN elemental analyses, along with their nonaggregating behaviors in solvated media and crystalline forms has been confirmed.

If you want to learn more about this compound(5,6-Dichloropyrazine-2,3-dicarbonitrile)COA of Formula: C6Cl2N4, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

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: 616-43-3, is researched, SMILESS is CC1=CNC=C1, Molecular C5H7NJournal, Chemistry of Materials called Steric and Electronic Effects in Methyl-Substituted 2,2′-Bipyrroles and Poly(2,2′-Bipyrrole)s: Part II. Theoretical Investigation on Monomers, Author is Gatti, Carlo; Frigerio, Giovanni; Benincori, Tiziana; Brenna, Elisabetta; Sannicolo, Franco; Zotti, Gianni; Zecchin, Sandro; Schiavon, Gilberto, the main research direction is pyrrole bipyrrole substituted steric electronic effect.Category: chiral-oxygen-ligands.

The effects of N- and Cβ-Me substitution in pyrrole and 2,2′-bipyrrole were investigated through ab initio calculations and Atoms in Mols. anal. of the resulting wave functions. Replacement of a hydrogen atom with a Me group in pyrroles lowers the ionization potential, with substitution at C3 being more efficient than N-substitution because of the larger release of π population to the ring in the former case. Full geometry optimization at RHF/6-31G** level and as a function of the torsion angle τ between two adjacent rings demonstrates that the increasing loss of planarity in the 2,2′-bipyrrole, N,N’-dimethyl-2,2′-bipyrrole, and 3,3′-dimethyl-2,2′-bipyrrole series, adversely affects the pos. contributions expected from Me substitution. An intramol. interaction energy model shows that the greater anti-planarization energy of N,N’-dimethyl-2,2′-bipyrrole, as compared to 3,3′-dimethyl-2,2′-bipyrrole, is due to the larger decrease in the stabilizing electrostatic term and to the larger increase in the destabilizing nonbonding contribution which occurs at τ = 0° in the former. Calculations on the corresponding monocations and anal. of new conductivity measures on substituted poly(2,2′-bipyrrole)s suggest that the ease in achieving local chain planarity in doped polypyrroles should be more closely correlated to the anti-planarization energies of the charged monomers rather than to anti-planarization energies of the neutral monomers.

If you want to learn more about this compound(3-Methyl-1H-pyrrole)Category: chiral-oxygen-ligands, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Category: chiral-oxygen-ligands. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Systematic investigation of phthalocyanines, naphthalocyanines, and their aza-analogues. Effect of the isosteric aza-replacement in the core. Author is Novakova, Veronika; Reimerova, Petra; Svec, Jan; Suchan, Daniel; Miletin, Miroslav; Rhoda, Hannah M.; Nemykin, Victor N.; Zimcik, Petr.

Zinc complexes of phthalocyanine, naphthalocyanine and their aza-analogs with alkylsulfanyl substituents were synthesized and characterized by UV-visible and MCD spectroscopy, and their redox properties were investigated using CV, DPV, and SWV approaches as well as spectroelectrochem. methods. Aggregation, photostability, singlet oxygen production, and fluorescence quantum yields of the target complexes were studied as a function of the stepwise substitution of the aromatic C-H fragments by nitrogen atoms. The electronic structure and vertical excitation energies of the target compounds were probed by DFT-PCM and TDDFT-PCM approaches. Introduction of addnl. nitrogens into the structure leads to a hypsochromic shift of the Q-band and makes the macrocycle strongly electron deficient and more photostable. The impact on the photophysics is limited. The relations between the type of macrocycle and the studied properties were defined.

If you want to learn more about this compound(5,6-Dichloropyrazine-2,3-dicarbonitrile)Category: chiral-oxygen-ligands, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 3-Methyl-1H-pyrrole(SMILESS: CC1=CNC=C1,cas:616-43-3) is researched.Electric Literature of C5H7N. The article 《Controlling the electro-mechanical performance of polypyrrole through 3- and 3,4-methyl substituted copolymers》 in relation to this compound, is published in RSC Advances. Let’s take a look at the latest research on this compound (cas:616-43-3).

Conducting polymers such as polypyrrole are biocompatible materials used in bioelectronic applications and microactuators for mechanobiol. and soft microrobotics. The materials are commonly electrochem. synthesized from an electrolyte solution comprising pyrrole monomers and a salt, which is incorporated as the counter ion. This electrosynthesis results in polypyrrole forming a three-dimensional network with extensive crosslinking in both the alpha and beta positions, which impacts the electro-mech. performance. In this study we adopt a ‘blocking strategy’ to restrict and control crosslinking and chain branching through beta substitution of the monomer to investigate the effect of crosslinking on the electroactive properties. Me groups where used as blocking groups to minimise the impact on the pyrrole ring system. Pyrrole, 3- and 3,4-Me substituted pyrrole monomers were electro-polymerised both as homo-polymers and as a series of co-polymer films. The electroactive performance of the films was characterised by measuring their electrochem. responses and their reversible and non-reversible film thickness changes. This showed that altering the degree of crosslinking through this blocking strategy had a large impact on the reversible and irreversible volume change. These results elaborate the importance of the polymer structure in the actuator performance, an aspect that has hitherto received little attention.

If you want to learn more about this compound(3-Methyl-1H-pyrrole)Computed Properties of C5H7N, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Related Products of 3685-23-2. 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: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Competing fragmentation processes of β-substituted propanoate ions upon collision induced dissociation. Author is Le Blanc, Luc M.; Powers, Sean W.; Grossert, J. Stuart; White, Robert L..

Rationale : When subjected to collisional activation, gas-phase carboxylate ions typically undergo decarboxylation. However, alternative fragmentation processes dominate when the carboxylate group is located within certain structural motifs. In this work, the fragmentation processes of β-substituted carboxylate ions are characterized to improve correlations between reactivity and structure. Methods : Mass spectra were collected using both ion trap and triple quadrupole mass spectrometers operating in the neg. ion mode; collision induced dissociation (CID) of ions was used to study the relationship between product ions and the structures of their precursor ions. Quantum mech. computations were performed on a full range of reaction geometries at the MP2/6-311++G(2d,p)//B3LYP/6-31++G(2d,p) level of theory. Results : For a series of β-substituted carboxylate ions, a product ion corresponding to the anion of the β-substituent was obtained upon CID. Detailed computations indicated that decarboxylative elimination and at least one other fragmentation mechanism had feasible energetics for the formation of substituent anions differing in their gas-phase basicities. Predicted energetics for anti- and synperiplanar alignments in the transition structures for decarboxylative elimination correlated with the positions of crossover points in breakdown curves acquired for conformationally constrained ions. Conclusions : The feasibility of more than one mechanism was established for the fragmentation of β-substituted propanoates. The contribution of each mechanistic pathway to the formation of the substituent anion was influenced by structural variations and conformational constraints, but mostly depended on the nature of the substituent.

If you want to learn more about this compound(cis-4-Aminocyclohexane carboxylic acid)Related Products of 3685-23-2, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3685-23-2).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

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: 616-43-3, is researched, Molecular C5H7N, about Structure of “”unknown”” soil nitrogen investigated by analytical pyrolysis, the main research direction is organic nitrogen compound detection soil pyrolysis; hydrolysis soil detection organic nitrogen pyrolysis.Product Details of 616-43-3.

Curie-point pyrolysis-gas chromatog./mass spectrometry (Py-GC/MS) and in-source pyrolysis-field ionization mass spectrometry (Py-FIMS) were applied for the 1st time to the structural characterization of organic N in hydrolyzates and hydrolysis residues resulting from the classical 6 M HCl hydrolysis of mineral soils. Two soils of widely different origin (i.e., a Gleysol Ah and a Podzol Bh) were investigated. Py-GC/MS was performed using a N-selective detector to detect and identify N-containing pyrolysis products in the hydrolyzate (e.g., pyrazole and/or imidazole, N,N-dimethylmethanamine, benzenacetonitrile, propane- and propenenitriles) and the hydrolysis residue (e.g., pyrroles, pyridines, indoles, N-derivatives of benzene, benzothiazole, and long-chain aliphatic nitriles). Temperature-resolved Py-FIMS allowed the thermal evolution of the N-containing compounds to be recorded during pyrolysis. These were characterized by a particularly high thermostability compared to their thermal release from whole soils. The combination of pyrolysis with mass spectrometric methods permitted analyses of the identities and thermal stabilities of complex N compounds in hydrolysis residues of whole soils, which cannot be done by wet-chem. methods. Pyrolysis-methylation GC/MS with NMe4OH enabled the identification of N,N-dimethylbenzenamine and so confirmed the identification of benzeneamine by Py-GC/MS in nonmethylated hydrolysis residues. N-derivatives of benzene and long-chain nitriles are characteristic of soils, terrestrial humic substances, and hydrolysis residues and seem to be specific, stable transformation products of soil N.

If you want to learn more about this compound(3-Methyl-1H-pyrrole)Product Details of 616-43-3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate