Category: 3229-00-3

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,
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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 Crystal structure and molecular configuration of simple derivatives of tetramethylmethane. I. Tetrachloro-, tetrabromo-, and tetraiodohydrins of pentaerythritol, published in 1932, which mentions a compound: 3229-00-3, mainly applied to , Electric Literature of C5H8Br4.

The crystals belong to the class C2h, the values of I100, I010, and I001 being: C(CH2Cl)4, 6.912, 6.289, 5.492; C(CH2Br)4, 7.199, 6.325, 5.71 9; C(CH2I)4, 7.552, 6.432, 6.075 A. U. The space group is C2h1 and the unit cells contain 1 mol. From the small volumes of the unit cells, the packing of the atoms in the mols. is closer than is compatible with a tetrahedral structure. It is probable that the 4 halogen atoms Iie in a plane which intersects the plane containing the 4 C atoms in the 2-fold axis, at the intersection of which with the planes of symmetry lies the central C atom.

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Imidazole – Wikipedia,
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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,
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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: 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,
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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,
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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, Nippon Kagaku Kaishi (1921-47) called The vapor pressures of molecular crystals. I, Author is Nitta, Isamu; Seki, Syuzo, which mentions a compound: 3229-00-3, SMILESS is BrCC(CBr)(CBr)CBr, Molecular C5H8Br4, Name: Pentaerythrityltetrabromide.

By means of a glass spring manometer, the vapor pressures of PSBr3, C2Cl6 and C(CH2Br)4 were determined in the regions of their m. ps. as well as of transition points, and the results are discussed thermodynamically.

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Imidazole – 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: 3229-00-3, is researched, SMILESS is BrCC(CBr)(CBr)CBr, Molecular C5H8Br4Journal, Procedia Engineering called The synthesis of pentaerythrityl tetrakis[imidazole], Author is Liu, Haiyan; Gu, Da Ming; Liu, Guoyu; Zhao, Xiuli; Chen, Cheng, the main research direction is pentaerythritol imidazole preparation.Safety of Pentaerythrityltetrabromide.

A method for the preparation of pentaerythrityl tetrakis[imidazole] was reported and the synthesis of the target compound was achieved using pentaerythritol and imidazole as starting material, formation of pentaerythrityl tetrabromide(PEBr4) and reaction with imidazole. The overall yield was 68.6%. The product thus obtained [i.e., 1,1′-[2,2-bis(1H-imidazol-1-ylmethyl)-1,3-propanediyl]bis[1H-imidazole] [tetrakis(imidazol-1-ylmethyl)methane]] was confirmed by 1H-NMR, 13C-NMR.

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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 Eutectic solidification of the quasi binary system of isotactic polypropylene and pentaerythrityl tetrabromide, published in 1977, which mentions a compound: 3229-00-3, mainly applied to eutectic solidification polypropylene pentaerythrityl bromide, Product Details of 3229-00-3.

The title eutectic solidification was studied to gain some understanding of the simultaneous crystallization of a polymer and a diluent with a metal-like character. Pentaerythrityl tetrabromide (I) [3229-00-3] had a melting range of 157-9°, appropriate for the occurrence of a eutectic point. Despite the fact that the value of α = 6 of I was rather high, in polymer solutions I produced dendrites upon solidification, typical of metallic behavior, and I was classified as pseudodendritic. Considering the metal-like habit of both components, it was expected that the eutectic solidification process would proceed in a cooperative way, forming regular structures which should depend on the growth rate. In controlled solidification of the I-isotactic polypropylene (II) [25085-53-4] eutectic, coupled growth of the I and II mols. was observed at growth rates <3 mm/h. The formed eutectic microstructure consisted of I rods dispersed in a II matrix. The lateral dimension of these rods depended on the rate of solidification and ranged from 0.3 to 1.0 μm. At growth rates <3 mm/h, uncoupled growth of I and II was observed, producing a structure of randomly mixed II spherulites and I crystals. In the solidification of off-eutectic solutions with an excess of I, a remarkable nucleating effect of the primary I crystals was found. This indicated the importance of eutectics in polymeric systems, which could be applied in dispersing crystalline additives such as nucleating agents or in the in situ production of polymer composites. Also, solidification of eutectic polymer-diluent systems provided a method for producing porous materials by removal of the small mol. compound, where the lateral dimensions of the pores depended on the growth rate. This literature about this compound(3229-00-3)Product Details of 3229-00-3has given us a lot of inspiration, and I hope that the research on this compound(Pentaerythrityltetrabromide) can be further advanced. Maybe we can get more compounds in a similar way.

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Lichtenberger, Dennis L.; Subramanian, Lalitha; Bunz, Uwe; Vollhardt, K. Peter C. published an article about the compound: Pentaerythrityltetrabromide( cas:3229-00-3,SMILESS:BrCC(CBr)(CBr)CBr ).Computed Properties of C5H8Br4. 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:3229-00-3) through the article.

Through-space and through-bond interactions between π orbitals in the mols. hepta-1,6-diyne (A), 3,3-diethylpenta-1,4-diyne (B), 4,4-diprop-2-ynylhepta-1,6-diyne (C), 2,2-bis(bromomethyl)-1,3-dibromopropane (D) and 4,4-diethynylhepta-1,6-diyne (E) have been studied using gas-phase HeI photoelectron spectroscopy. The assignments of the photoelectron bands are discussed in relation to the results of extended Hueckel calculations Mixing of the π orbitals with the σ bond framework of the mols. is revealed by broadened band profiles in the π ionization region. Detailed examination of the first ionization of A suggests that one conformation is predominant under the conditions of the experiment The terminal π orbitals are separated by too great a distance for through-space interaction, so the spread of the ionization band is entirely from through-bond interactions. The low-energy ionizations of B correspond to the in-plane and out-of-plane sym. and antisym. combinations of the four terminal π orbitals, each of which has a different interaction with the C-H and C-C bonds of the central carbon atom. The spectra of C and D are very similar to each other, even though C has only alkyne substituents and D has only bromine substituents. The spectrum of E is a complicated mix of some of the features of A and some of the features of B. Extended Hueckel calculations help clarify the number of orbitals in this region and the nature of the orbital interactions.

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Imidazole – Wikipedia,
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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called A cadmium coordination polymer with anatase topology constructed from a tetrapodal ligand. Synthesis, crystal structures and luminescence, published in 2011-02-28, which mentions a compound: 3229-00-3, Name is Pentaerythrityltetrabromide, Molecular C5H8Br4, Recommanded Product: 3229-00-3.

A tetrapodal ligand, tetrakis(3-carboxyphenoxymethyl)methane (H4L), and its Cd complex [Cd2L(H2O)4]n (1) were synthesized and structurally characterized. Crystal data: monoclinic, a = 27.521(6), b = 8.4410(9), c = 18.710(8) Å, β = 123.449(5)°, Z = 4, R1 = 0.0545, wR2 = 0.1348 [I > 2σ(I)]. Complex 1 displays a 3D (3,6)-connected anatase topol. with the Schlaefli symbol (42.6)2(44.62.88.10). At room temperature, 1 exhibits a strong emission at 396 nm upon excitation at 320 nm.

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Reference:
Imidazole – Wikipedia,
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