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Application In Synthesis of Pentaerythrityltetrabromide. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Pentaerythrityltetrabromide, is researched, Molecular C5H8Br4, CAS is 3229-00-3, about Quantum chemisty of pentaerythrityl tetrabromide. Author is Peng, Yong-li; Chen, Bai-guang; Luo, Can; Huang, Zhi-xiong.

Pentaerythritol and benzenesulfonyl chloride, sodium bromide were used as raw materials to prepare 1,3-dibromo-2,2-bis (bromomethyl) propane through a method of two steps. The structure of the product was characterized by IR spectra (FT-IR) and 1H-NMR (1H NMR). 1,3-dibromo-2,2-bis (bromomethyl) propane mol. structure was studied by Gaussian 03 software at quantum chem. level. The geometric configuzation of 1,3-dibromo-2,2-bis (bromomethyl) propane mol. was optimized by d. functional theory at B3LYP/6-31G level, and the FTIR spectrum and 1H NMR spectrum of the mol. were theor. calculated The results show that the optimal mol. structure is four spatial orientation and central symmetry, in which C-Br has a lower bond order and higher activity. The theor. values of FT-IR spectrum and 1H NMR spectrum are consistent with exptl. values.

Although many compounds look similar to this compound(3229-00-3)Application In Synthesis of Pentaerythrityltetrabromide, numerous studies have shown that this compound(SMILES:BrCC(CBr)(CBr)CBr), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Hydrogen tetrachloroaurate(III) trihydrate( cas:16961-25-4 ) is researched.Related Products of 16961-25-4.Guo, Jiacen; Kim, Ji-Young; Zhang, Mingliang; Wang, Haonan; Stein, Aaron; Murray, Christopher B.; Kotov, Nicholas A.; Kagan, Cherie R. published the article 《Chemo- and Thermomechanically Configurable 3D Optical Metamaterials Constructed from Colloidal Nanocrystal Assemblies》 about this compound( cas:16961-25-4 ) in ACS Nano. Keywords: optical 3D metamaterials constructed colloidal nanocrystal assembly; metamaterials ultrathin lens polarizer waveplates; 3D nanofabrication; broadband circular polarizer; chiral metamaterials; circular dichroism (CD); nanocrystal assembly; nanoimprint; plasmonics. Let’s learn more about this compound (cas:16961-25-4).

Nanofabrication has limited most optical metamaterials to 2D or, often with multiple patterning steps, simple 3D meta-atoms that typically have limited built-in tunability. Here, with a one-step scalable patterning process, we exploit the chem. addressability and structural adaptability of colloidal Au nanocrystal assemblies to transform 2D nanocrystal/Ti bilayers into complex, 3D-structured meta-atoms and to thermally direct their shape morphing and alter their optical properties. By tailoring the length, number, and curvature of 3D helical structures in each meta-atom, we create large-area metamaterials with chiroptical responses of as high as ∼40% transmission difference between left-hand (LCP) and right-hand (RCP) circularly polarized light (ΔT = TRCP – TLCP) that are suitable for broadband circular polarizers and, upon thermally configuring their shape, switch the polarity of polarization rotation. These 3D optical metamaterials provide prototypes for low-cost, large-scale fabrication of optical metamaterials for ultrathin lenses, polarizers, and waveplates.

Although many compounds look similar to this compound(16961-25-4)Related Products of 16961-25-4, numerous studies have shown that this compound(SMILES:Cl[Au-](Cl)(Cl)Cl.[H]O[H].[H]O[H].[H]O[H].[H+]), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Computed Properties of C5H8Br4. 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: Pentaerythrityltetrabromide, is researched, Molecular C5H8Br4, CAS is 3229-00-3, about Tetrakis[(4-cyanophenoxy)methyl]methane. Author is Xu, Wei; Lu, Yin Xiang; Liu, Chun Ming; Guo, Peng; Lan, Bi Jian; Zhou, Hui.

The title compound, C33H24N4O4, is a sym. mol. with four chem. identical substituents bonded to a central C atom. In the crystal structure, there are C-H···N, C-H···O, C-H···C, C-H···π(C[triple-bond]N) and edge-to-face aromatic interactions. The four chem. identical substituents have different conformations. Crystallog. data are given.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

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, Journal of Hazardous Materials called Porous zeolite imidazole framework-wrapped urchin-like Au-Ag nanocrystals for SERS detection of trace hexachlorocyclohexane pesticides via efficient enrichment, Author is Zhou, Xia; Liu, Guangqiang; Zhang, Hongwen; Li, Yue; Cai, Weiping, which mentions a compound: 16961-25-4, SMILESS is Cl[Au-](Cl)(Cl)Cl.[H]O[H].[H]O[H].[H]O[H].[H+], Molecular AuCl4H7O3, HPLC of Formula: 16961-25-4.

A core-shell configuration of the zeolite imidazole framework (ZIF-8) wrapped urchin-like Au-Ag alloyed nanocrystals (UAANs) were designed and fabricated via adding the pre-formed plasmonic nanoparticles into the ZIF-8 precursor solution with hexadecyltrimethyl ammonium bromide (CTAB). The UAANs are about 100 nm in size with high-d. tips. The ZIF-8 shell layer is nanoporous and can be controlled in thickness from 10 nm to 40 nm by the CTAB concentration Importantly, such ZIF-8 wrapped UAANs can be used as the highly efficient surface enhanced Raman scattering (SERS) substrates for detection of the trace hexachlorocyclohexane (HCH) mols. The ZIF-8 shell layer with an appropriate thickness (-∼20 nm) can evidently increase the SERS performance of the UAANs to the trace γ-HCH and α-HCH. Such wrapping-enhanced SERS effect significantly increases, by a power function, with the decreasing HCH concentration, especially in the concentration below 10-6 M, which is attributed to the ever-increasing enrichment effect to the HCH mols. The detection limit is down below 1.5 ppb. This work presents a highly efficient substrate for the SERS-based detection of the trace HCH, and also displays the potential application in the SERS detection of volatile small mols.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

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: 3229-00-3, is researched, Molecular C5H8Br4, about Four-membered ring bromonium ions, the main research direction is bromonium ion 4 membered; brometanium ring closure; cleavage brometanium.Application In Synthesis of Pentaerythrityltetrabromide.

Dissolution of FCH2C(CH2F)2CH2Br in SbF5-SO2ClF gave a pale yellow solution, stable below -50°, containing the four-membered-ring bromonium ion (I), detected by NMR. Quenching the solution in MeOH-K2CO3 at -78° gave 54% BrCH2C(CH2F)2CH2OMe. Similar results were observed for BrCH2C(CH2Br)2CH2Br and FCH2C(CH2Br)2CH2Br.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Low-temperature thermodynamics of pentaerythritol and its tetrahalide derivatives》. Authors are Westrum, Edgar F. Jr.; Payne, Donald H..The article about the compound:Pentaerythrityltetrabromidecas:3229-00-3,SMILESS:BrCC(CBr)(CBr)CBr).HPLC of Formula: 3229-00-3. Through the article, more information about this compound (cas:3229-00-3) is conveyed.

Certain types of solid-solid transitions have been explained by the onset of rotation in the crystalline state and by an order-disorder type of mechanism. Precise treatment of such transitions is greatly hindered by the lack of accurate structural data, especially in the low-temperature region. The molal thermodynamic functions of C(CH2OH)4, C(CH2Cl)4, C(CH2Br)4, C(CH2I)4, and C(CH2F)4 were determined at 298.15°K. A 1st-order transition was found at 249.40°K. in C(CH2F)4 with a molal heat of transition of 3157.5 ± 2.3 cal. and a molal entropy (S) of transition of 12.66 ± 0.01 cal./degree. Interpretation of structural models of C(CH2F)4 and C(CH2OH)4 gave a calculated S change of 12.63 consisting of an S increment of R ln 9 derived from the neopentane transition, R ln 2 for the orientation of the -CC4- tetrahedron, R ln 2 for the introduction of 4 F atoms, and 4 R ln 3 for the orientations of the -CH2F tetrahedra. In “”pseudorotational”” transitions, the S associated with the change occurring in the symmetry features of the structure, both mol. and crystallographic, should agree with the S calculated statistically from the change in the number of symmetry features in the transition.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Related Products of 58656-04-5. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Tricyclohexylphosphonium tetrafluoroborate, is researched, Molecular C18H34BF4P, CAS is 58656-04-5, about A hexacyclic ladder-type building block for high-performance D-A copolymers. Author is Qian, Liu; Cao, Jiamin; Ding, Liming.

A ladder-type unit thieno[3′,2′:3,4]isoquinolino[8,7-h]thieno[3,2-c]isoquinoline-6,13(7H,14H)-dione (TITI) was invented as an acceptor unit for constructing donor-acceptor (D-A) copolymers. Two polymers PThTITI and PSeTITI were developed by copolymerizing TITI with thiophene (Th) or selenophene (Se). Compared with PThTITI, PSeTITI possesses a lower bandgap and higher hole mobility. PThTITI:PC71BM and PSeTITI:PC71BM solar cells gave power conversion efficiencies (PCEs) of 5.53% and 6.17%, resp.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Recommanded Product: Tricyclohexylphosphonium tetrafluoroborate. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Tricyclohexylphosphonium tetrafluoroborate, is researched, Molecular C18H34BF4P, CAS is 58656-04-5, about High-Yielding Palladium-Catalyzed Intramolecular Alkane Arylation: Reaction Development and Mechanistic Studies. Author is Lafrance, Marc; Gorelsky, Serge I.; Fagnou, Keith.

Palladium-catalyzed alkane arylation reactions with aryl halides are described for the preparation of 2,2-dialkyl-dihydrobenzofuran substrates. These reactions occur in excellent yield and very high selectivity for the formation of one sole product arising from a reaction at nearby Me groups. Mechanistic and computational studies point to the involvement of a concerted, inner-sphere palladation-deprotonation pathway that is enabled by the presence of three-center agostic interactions at the transition state. This mechanism accurately predicts the exptl. observed kinetic isotope effect as well as the site selectivity and should be useful in the design of new reactions and catalysts.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Huang, Jing; Wang, Kai; Gupta, Sukriti; Wang, Guojie; Yang, Cangjie; Mushrif, Samir H.; Wang, Mingfeng published an article about the compound: Tricyclohexylphosphonium tetrafluoroborate( cas:58656-04-5,SMILESS:F[B-](F)(F)F.[PH+](C1CCCCC1)(C2CCCCC2)C3CCCCC3 ).Application of 58656-04-5. 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:58656-04-5) through the article.

Thienoisoindigo (TIIG) has emerged as an attractive building block for high-performance organic optoelectronic devices. Here we report the first synthesis of a series of π-conjugated TIIG-based small mols. and alternating copolymers via direct C-H arylation, which enables the efficient synthesis without use of flammable and toxic orgametallic reagents in fewer steps compared Suzuki and Stille coupling. The direct arylation coupling between TIIG and two resp. mono-bromo aryl reactants clearly shows that the α-H is more reactive than the β-H in the thiophene unit of TIIG. The high regioselectivity of TIIG monomer warrants the successful synthesis of high-quality alternating copolymers with minimal structural defects. PTIIG-BT polymer synthesized via direct arylation polymerization (DAP) showed comparable mol. weight and hole mobility than the same polymer previously synthesized via Suzuki coupling. Moreover, the two new polymers (PTIIG-TF and PTIIG-2FBT) synthesized via DAP showed hole mobility up to 10-3 cm2 V-1 s-1 in FET devices fabricated and tested under ambient conditions. © 2016 Wiley Periodicals, Inc.J. Polym. Sci., Part A: Polym.Chem. 2016.

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Imidazole – 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: Tricyclohexylphosphonium tetrafluoroborate( cas:58656-04-5 ) is researched.Safety of Tricyclohexylphosphonium tetrafluoroborate.Hu, Yingqi; Hou, Yuqi; Wang, Zhijia; Li, Yanqin; Zhao, Jianzhang published the article 《3,5-Anthryl-Bodipy dyad/triad: Preparation, effect of F-B-F induced conformation restriction on the photophysical properties, and application in triplet-triplet-annihilation upconversion》 about this compound( cas:58656-04-5 ) in Journal of Chemical Physics. Keywords: anthryl Bodipy dyad triad synthesis triplet annihilation upconversion photosensitizer. Let’s learn more about this compound (cas:58656-04-5).

We prepared a series of compact Bodipy-anthryl electron donor/acceptor triads and dyads by attaching anthryl moieties at the 3-,5-positions of the Bodipy core, with a novel conformation restriction approach, to study the spin-orbit charge transfer intersystem crossing (SOCT-ISC). The conformation restrictions are imposed by the BF2 unit of Bodipy without invoking the previously reported method with 1,7-di-Me or 1,3-di-Me groups. Our new approach shows a few advantages, including the stronger electron accepting ability of the methyl-free Bodipy core (reduction potential anodically shifted by +0.3 V vs. the methylated Bodipy), red-shifted absorption (by 21 nm), and longer triplet state lifetime (372μs vs. 126μs). The effects of the different mutual orientations of the electron donor and acceptor on UV-visible absorption, fluorescence, triplet state quantum yields, and lifetimes were studied. Triads with orthogonal geometries show higher singlet oxygen quantum yields (ΦΔ = 37%) than those with more coplanar geometries. Since the non-radiative decay for the S1 state is significant in the parent Bodipy chromophore (ΦF = 6.0%), we propose that in dyads/triads, the charge separation and recombination-induced ISC outcompete the non-radiative decay to the ground state, which is new in the study of SOCT-ISC. D. functional theory computation indicated a shallow torsion potential energy curve as compared to the meso-anthryl-Bodipy dyad analog, which may contribute a low triplet state quantum yield of the new dyads/triads. Triplet-triplet annihilation upconversion was performed with the electron donor/acceptor dyads as the triplet photosensitizer, with an upconversion quantum yield of 12.3%. (c) 2020 American Institute of Physics.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem