Tag: M.W=0-100

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 Iron(II) complexes of new hexadentate 1,1,1-tris-(iminomethyl)ethane podands, and their 7-methyl-1,3,5-triazaadamantane rearrangement products, published in 2012, which mentions a compound: 948552-36-1, mainly applied to pyridylmethylene triazaadamantane iron complex preparation crystal structure; iron heterocyclic aldehyde aminomethyl methyldiaminopropane Schiff complex preparation structure, Quality Control of 1H-Pyrazole-5-carbaldehyde.

New iron(II) podand complexes were prepared, by condensation of 2-(aminomethyl)-2-methyl-1,3-diaminopropane with 3 equiv of a heterocyclic aldehyde in the presence of hydrated Fe[BF4]2 or Fe[ClO4]2 as templates. The 2-(aminomethyl)-2-methyl-1,3-diaminopropane was prepared in situ by deprotonation of its trihydrochloride salt. The chloride must be removed from these reactions by precipitation with silver, to avoid the formation of the alternative 2,4,6-trisubstituted-7-methyl-1,3,5-triazaadamantane condensation products, or their FeCl2 adducts. The crystal structures of two 2,4,6-tri(pyridyl)-7-methyl-1,3,5-triazaadamantane-containing species are presented, and contain two different geometric isomers of this tricyclic ring with three equatorial, or two equatorial and one axial, pyridyl substituents. Both structures feature strong C-H···X (X = Cl or F) hydrogen bonding from the aminal C-H groups in the triazaadamantane ring. Five iron(II) podand complexes were successfully obtained, all of which contain low-spin iron centers, and three of which were characterized by x-ray crystallog.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

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.Pocar, Donato; Stradi, Riccardo researched the compound: 1H-Pyrazole-5-carbaldehyde( cas:948552-36-1 ).Synthetic Route of C4H4N2O.They published the article 《Studies in the enamine field. XXXVII. Diene amines and arylsulfonyl azides》 about this compound( cas:948552-36-1 ) in Annali di Chimica (Rome, Italy). Keywords: diene amines sulfonyl azides pyrazoles; diazo propenes cyclization pyrazoles. We’ll tell you more about this compound (cas:948552-36-1).

Pyrazoles are prepared from amines RCH:CHCH:CHNR1R2 (I) and sulfonyl azides p-R3C6H4SO2N3 (II); formamidines p-R3C6H4SO2N:CHNR1R2 are by-products. The pyrazoles are formed by cyclization of diazo compounds RCH:CHCHN2. Thus, 1-diethylamino-1,3-butadiene is treated with p-ClC6H4SO2N3 at 0-10° to give pyrazole (III); p-ClC6H4SO2N:CHNEt2 is isolated. Similarly, IV and V are prepared from I (R = CHO, R1 = Me, R2 = Ph) and I (R = CH2OH, R1 = Me, R2 = Ph) and II (R3 = Me, NO2).

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

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 BODIPY-based photoacid generators for light-induced cationic polymerization, published in 2020-02-07, which mentions a compound: 625-82-1, mainly applied to photoacid generator cationic photopolymerization bodipy ROMP, Recommanded Product: 2,4-Dimethyl-1H-pyrrole.

Photoacid generators (PAGs) are organic compounds that can generate protons (H+) upon irradiation with certain wavelengths of light. In this work, we designed and synthesized the first BODIPY-based PAGs with D-A and D-π-A conjugation structures and achieved green and red LED light-induced acid generation. By the use of red-light absorbance, red-LED-triggered cationic polymerization was demonstrated as a proof-of-concept application of these PAGs.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2,4-Dimethyl-1H-pyrrole(SMILESS: CC1=CNC(C)=C1,cas:625-82-1) is researched.Formula: C6H6FNO. The article 《The best density functional theory functional for the prediction of 1H and 13C chemical shifts of protonated alkylpyrroles》 in relation to this compound, is published in Journal of Computational Chemistry. Let’s take a look at the latest research on this compound (cas:625-82-1).

The prediction of 13C chem. shifts can be challenging with d. functional theory (DFT). In this study 39 different functionals and three different basis sets were tested on three neutral alkylpyrroles and their corresponding protonated species. The calculated shielding constants were compared to exptl. data and results from previous calculations at the MP2. We find that the meta-hybrid functional TPSSh with either the Pople style basis set 6-311++G(2d,p) or the polarization consistent basis set pcSseg-1 gives the best results for the 13C chem. shifts, whereas for the 1H chem. shifts it is the TPSSh functional with either the 6-311++G(2d,p) or pcSseg-2 basis set. Including an explicit solvent mol. hydrogen bonded to NH in the alkylpyrroles improves the results slightly for the 13C chem. shifts. On the other hand, for 1H chem. shifts the opposite is true. Compared to calculations at the MP2 level none of the DFT functionals can compete with MP2 for the 13C chem. shifts but for the 1H chem. shifts the investigated DFT functionals are shown to give better agreement with experiment than MP2 calculations

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Lingfeng; Qian, Ying published the article 《Near-infrared quinoline-fluoroborodipyrrole dye: synthesis and lysosomal fluorescence imaging》. Keywords: near IR quinoline fluoroborodipyrrole dye lysosomal fluorescent imaging synthesis.They researched the compound: 2,4-Dimethyl-1H-pyrrole( cas:625-82-1 ).SDS of cas: 625-82-1. 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:625-82-1) here.

A near-IR region (NIR) fluoroborodipyrrole fluorescent dye (QBOP-lys) was synthesized through Knoevenagel condensation reaction. The D-A configuration of the QBOP-lys dyes was conjugated by two p-morpholine styrene with one 8-hydroxyquino BODIPY structure. This QBOP-lys dye has been characterized by NMR and high resolution mass spectrometry. In DMSO (DMSO) solution, the maximum absorption wavelength of QBOP-lys was at 698 nm and its molar extinction coefficient was 5.9×104 L·mol-1·cm-1, the maximum emission wavelength was at 770 nm and its stokes shift was 73 nm. Besides that, QBOP-lys has been prepared as water-soluble nano-silica fluorescent nanoparticles (QBOP-lys/SiO2). The maximum emission wavelength of QBOP-lys/SiO2 was 726 nm in pure aqueous solution and the fluorescence quantum of QBOP-lys/SiO2 was 0.33, which made QBOP-lys have good near-IR fluorescence emission characteristics in organic solvents or pure water. On the other hand, QBOP-lys was also used for lysosomal imaging in SGC-7901 cells, the colocalization coefficient of dye QBOP-lys with Lyso-Tracker Green, a com. lysosomal green dye, was up to 0.9. Besides that, after QBOP-lys incubate with cells SGC-7901 for 48 h, it could still maintain good fluorescence imaging performance which could be used for long-term tracking imaging. The spectroscopy experiments and cell experiments both proved that dye QBOP-lys was a very promising NIR dye in future application.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2,4-Dimethyl-1H-pyrrole(SMILESS: CC1=CNC(C)=C1,cas:625-82-1) is researched.Formula: C3H3ClN2O2S. The article 《8-[4-(2-Hydroxypropane-2-yl)phenyl]-1,3,4,4,5,7-hexamethyl-4-boron-3a,4a-diaza-S-indacene》 in relation to this compound, is published in Molbank. Let’s take a look at the latest research on this compound (cas:625-82-1).

During recent years, the BODIPY core became a popular scaffold for designing photoremovable protecting groups (PPG). In this paper, we report the synthesis of a new mol.-8-[4-(2-hydroxypropane-2-yl)phenyl]-1,3,4,4,5,7-hexamethyl-4-boron-3a,4a-diaza-S-indacene-by the treatment of meso-(4-CO2Me-phenyl)-BODIPY with excess of MeMgI. The product was characterized by 1H, 13C NMR and HRMS. The combination of BODIPY core with tertiary benzilyc alc. might be promising for utilizing this mol. as visible light removable PPG.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Liu, Yingfan; Li, Xiaochuan; Sun, Saisai; Ji, Guangqian; Son, Young-A. published an article about the compound: 2,4-Dimethyl-1H-pyrrole( cas:625-82-1,SMILESS:CC1=CNC(C)=C1 ).Name: 2,4-Dimethyl-1H-pyrrole. 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:625-82-1) through the article.

C14H15B2F4I2N4, triclinic, P1[n.772] (number 2), a = 7.5458(7) Å, b = 8.5659(6) Å, c = 8.6089(5) Å, α = 108.189(6)°, β = 110.492(7)°, γ = 98.678(7)°, V = 473.6 Å3, Z = 1, Rgt(F) = 0.0334, wRref(F2) = 0.0831, T = 296.5 K.CCDC number: 1831891. The title compound was synthesized from commerically available 2,4-dimethylpyrrole as the literature described, The key intermediate BOPHY (bis(difluoroboron) l,2-bis((lH- pyrrol-2-yl)methylene)hydrazine) was obtained by three steps including Vilsmeier-Haack formylation, amidation, and com- plexation. The title compound was synthesized according to the following procedure. In ethanol 50 mL, BOPHY 338 mg (1.0 mmol), iodine 635 mg (2.5 mmol), and hydroiodic acid 352 mg (2.0 mmol) were mixed. Then it was heated to be refluxed in the dark, resulting in a deep-red solution Once the BOPHY disappeared on the TLC plate, the reaction mixture was quenched by water 50 mL. After a succesive washing, extraction, concentration, and purification, a yellow powder was obtained (500 mg, 85%). Crystals were obtained by slow evaporation within 5 days.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Safety of 2,4-Dimethyl-1H-pyrrole. 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: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about p-Pyridine BODIPY-based fluorescence probe for highly sensitive and selective detection of picric acid. Author is Li, Hongda; Jia, Rulin; Wang, Yan.

A novel fluorescence probe p-PBP (I) for PA was synthesized based on a basic N atom as the electronic donor. The probe could detect PA over TNT, CE, PETN, RDX, HMX, NB, NT, DNT, NP, DNP, and common inorganic explosive ions (K+, Ba2+, NH+4, NO-3, ClO-3, and ClO-4), and common ions (Na+, Ca2+, and Mg2+) with high selectivity. The fluorescence quenching was attributed to the photo-induced electron transfer (PET) processes from the excited state of p-PBP to the ground state PA. The detection limit of probe p-PBP for PA was as low as 13.06 nmol/L, which is far lower than the concentration stipulated by the Environmental quality standards for surface water. The response time was less than 30 s. Hence, the fluorescence probe p-PBP was successfully developed to detect the concentration level of PA in real samples, which would provide a novel quant. anal. method of PA in forensic science.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

HPLC of Formula: 948552-36-1. 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: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about Cytotoxic activity of new neodymium (III) complexes of bis-coumarins. Author is Kostova, Irena; Manolov, Ilia; Momekov, Georgi.

Neodymium(III) complexes with methylenebis(coumarins) I (R = Ph, 2-pyridyl, 4-pyridyl, 3-pyrazolyl) were synthesized by reaction of Nd(III) salt and the ligands in metal:ligand molar ratio of 1:2. The complexes were prepared by adding an aqueous solution of Nd(III) salt to an aqueous solution of the ligand and subsequently raising the pH of the mixture gradually to ∼5.0 by adding a dilute solution of NaOH. The Nd(III) complexes with bis-coumarins were characterized by different physicochem. methods: elemental anal., IR-, 1H- and 13C-NMR-spectroscopies and mass-spectral data. The spectral data of the Nd(III) complexes were interpreted from comparison with the spectra of the free ligands. This anal. showed that in the Nd(III) complexes the ligands coordinated to the metal ion through both deprotonated hydroxyl groups. From the ν(C:O) red shift observed, participation of the carbonyl groups in the coordination to the metal ion was also suggested. Cytotoxic screening by MTT assay was carried out. The complexes were tested on HL-60, HL-60/Dox and lymphoid SKW-3 cell lines. The overall results from the preliminary screening program revealed that all of the new Nd(III) complexes reach 50% inhibition of the malignant cells proliferation and thus could be considered as biol. active. From the IC50 values obtained, compounds Nd(L1)(OH)·H2O and Nd(L3)(OH)·2H2O exert superior activity in comparison to the remaining complexes.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Benson, Nicole; Davis, Adam; Woydziak, Zachary R. published an article about the compound: 1H-Pyrazole-5-carbaldehyde( cas:948552-36-1,SMILESS:O=CC1=CC=NN1 ).Application In Synthesis of 1H-Pyrazole-5-carbaldehyde. 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:948552-36-1) through the article.

Methine-bridged conjugated bicyclic aromatic compounds are common constituents of a range of biol. relevant mols. such as porphyrins, dipyrrinones, and pharmaceuticals. Addnl., restricted rotation of these systems often results in highly to moderately fluorescent systems as observed in 3H,5H-dipyrrolo[1,2-c:2”,1”-f]pyrimidin-3-ones, xanthoglows, pyrroloindolizinedione analogs, BODIPY analogs, and the phenolic and imidazolinone ring systems of Green Fluorescent Protein (GFP). This manuscript describes an inexpensive and operationally simple method of performing a Claisen-Schmidt condensation to generate a series of fluorescent pH dependent pyrazole/imidazole/isoindolone dipyrrinone analogs. While the methodol. illustrates the synthesis of dipyrrinone analogs, it can be translated to produce a wide range of conjugated bicyclic aromatic compounds The Claisen-Schmidt condensation reaction utilized in this method is limited in scope to nucleophiles and electrophiles that are enolizable under basic conditions (nucleophile component) and non-enolizable aldehydes (electrophile component). Addnl., both the nucleophilic and electrophilic reactants must contain functional groups that will not inadvertently react with hydroxide. Despite these limitations, this methodol. offers access to completely novel systems that can be employed as biol. or mol. probes.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem