4,4-dibromoheptane

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: 4,4-dibromoheptane
• 化学式: C₇H₁₄Br₂
• 分子量: 257.996
• InChiKey: TZFKFDQPHRPMKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,4,5-三苯基-1,3-二氢-2H-咪唑-2-酮 、 4,4-dibromoheptane 、 potassium carbonate 、 丁酮 在 silica gel 作用下， 反应 20.0h， 以to give 1,4,5-triphenyl-3-(7-bromoheptyl)imidazole-2-one (11.1 g, 46%) as an oil的产率得到1,4,5-triphenyl-3-(7-bromoheptyl)imidazole-2-one
  参考文献：
  名称：

  Substituted 2-imidazolone derivatives, their preparation and

  摘要：

  结构式(I)中的取代的4,5-二芳基-2-咪唑酮，其中每个AR基团相同或不同，可选取代的苯基或可选取代的杂环基；R1为氢、烷基、可选取代的苯基或可选取代的杂环基；n为4到12；X为5-四唑基、SO3H、P(O)(OR)2、P(O)(OH)2或P(O)(R)(OR)，其中R为氢，其可接受的盐，制备它们的过程，含有它们的制药组合物以及它们在治疗中的用途，包括治疗心血管疾病。

  公开号：

  US05338752A1
• 作为产物：
  描述：

  4-庚酮 在 phosphorus trichloride dibromide 作用下， 生成 4,4-dibromoheptane
  参考文献：
  名称：

  Carbon-13 NMR spectra of polybromoalkanes and polychlorobromoalkanes. Structural increments of halogens in polyhalogenated groups

  摘要：

  AbstractThe 13C NMR spectra of 48 polychlorobromoalkanes have been studied. Unlike the 13C signals of chlorine‐containing groups (38–105 ppm), those of bromine‐containing fragments, with the exception of CBr2 (60–70 ppm), appear in a rather narrow range (25–50 ppm) and are shifted to higher field in relation to similar chlorine‐containing groups. The spin–spin coupling constants in similar bromine‐ and chlorine‐containing groups practically coinciEN. Calculation of the chemical shifts for the polyhaloalkanes under study according to the additivity scheme, as previously observed for polychloroalkanes, renders values which are in considerable discord with experimental values (up to –32 ppm for CBr3). These discrepancies may be compensated for by corrections for the binary interaction of halogen atoms by grouping the halogen‐containing fragments according to the geminal, vicinal, 1,3‐, 1,3,5‐ and 1,2,3‐arrangement of halogen atoms, and by introducing an increment for the position of the halogen at the secondary atom. It is established that as compared to 1‐monohaloalkanes: (a) in the case of the geminal arrangement of halogen atoms the α‐ and γ‐effects diminish (Δ α from –3.2 to –8 ppm; Δγ = 2.6 ppm), while the β‐effect increases slightly (from 0 to 1.2 ppm); (b) in the case of a vicinal arrangement both the α‐ and β‐effects diminish (by about –3.5 ppm) and the γ‐effect remains constant, as if the vicinal system of the halogens was topologically insulated; (c) for the 1,3‐ and 1,3,5‐arrangement of halogens their mutual influence is weak (about –0.5 ppm for each halogen atom in the α‐ and γ‐positions); (d) the 1,2,3 system (serial arrangement of halogen atoms) is the sum of two vicinal fragments and hardly deviates from the additivity scheme; (e) the arrangement of a halogen at the secondary C atom enhances the α‐effect (Δα = 2.8 and 1.0 for methyl and methylene, respectively, in the case of Cl, and 3.5 and 3.7 ppm in the case of Br); the variation of the β‐effect has a different sign in relation to CH3 and CH2 groups (+1.2 and –1.7 for Cl, and +2.5 and –1.0 for Br). More distant effects of halogens (δ and ϵ) were not considered. The determined increments (Δα, Δβ and Δγ) for the α‐, β‐ and γ‐effects of chlorine and bromine atoms allow the prediction of the 13C chemical shifts in polyhaloalkanes with an accuracy up to ±1.5 ppm. Some deviations of up to ±5 ppm may be connected with the influence of a three particle interaction of halogen atoms, which was taken into account only in the case of a geminal arrangement of halogen atoms.

  DOI：

  10.1002/mrc.1270160402

文献信息

• CoA-IT and PAF inhibitors
  申请人：SmithKline Beecham Corporation

  公开号：US05648373A1

  公开（公告）日：1997-07-15

  Coenzyme A-independent transacylase is required for the release of free arachidonic acid, and the production of arachidonic acid metabolites and platelet activation factor. Blocking of this enzyme inhibits the production of these inflammatory mediators and will be of therapeutic utility in a broad range of allergic and inflammatory diseases and disorders. Compounds are described herein which inhibit the action of CoA-IT and are therefore useful in the treatment of disease states caused thereby.

  需要无辅酶A的转酰化酶来释放游离的花生四烯酸，并产生花生四烯酸代谢产物和血小板活化因子。阻止这种酶的作用会抑制这些炎症介质的产生，并在广泛的过敏和炎症性疾病和障碍的治疗中具有治疗效果。本文描述了抑制CoA-IT作用的化合物，因此在治疗由此引起的疾病状态中有用。
• Substituted 2-imidazolone derivatives, their preparation and
  申请人：SK&F Laboratories Ltd.

  公开号：US05338752A1

  公开（公告）日：1994-08-16

  ##STR1## Substituted 4,5-diaryl-2-imidazolones of structure (I), in which each group AR is the same or different and is optionally substituted phenyl or optionally substituted heteroaryl; R.sup.1 is hydrogen, alkyl, optionally substituted phenyl or optionally substituted heteroaryl; n is 4 to 12; and X is 5-tetrazolyl, SO.sub.3 H, P(O)(OR).sub.2, P(O)(OH).sub.2 or P(O)(R)(OR) in which R is hydrogen acceptable salt thereof, processes for preparing them, pharmaceutical compositions containing them and their use in therapy, inter alia, in the treatment of cardiovascular disorders.

  结构式(I)中的取代的4,5-二芳基-2-咪唑酮，其中每个AR基团相同或不同，可选取代的苯基或可选取代的杂环基；R1为氢、烷基、可选取代的苯基或可选取代的杂环基；n为4到12；X为5-四唑基、SO3H、P(O)(OR)2、P(O)(OH)2或P(O)(R)(OR)，其中R为氢，其可接受的盐，制备它们的过程，含有它们的制药组合物以及它们在治疗中的用途，包括治疗心血管疾病。
• METHOD FOR PRODUCING POLYMER, POLYMER, COMPOSITION FOR FORMING INSULATING FILM, METHOD FOR PRODUCING INSULATING FILM, AND INSULATING FILM
  申请人：JSR Corporation

  公开号：EP1705206A1

  公开（公告）日：2006-09-27

  There are provided a method for producing a polymer, a polymer, an insulating-film-forming composition, a method for producing an insulating film, and an insulating film capable of forming a film which is suitably used as an interlayer dielectric for semiconductor devices or the like and exhibits a low relative dielectric constant, excellent mechanical strength and adhesion, and uniform quality. A method for producing a polymer of the invention comprises hydrolyzing and condensing (B) a hydrolyzable-group-containing silane monomer in the presence of (A) a polycarbosilane, the polycarbosilane (A) being a polymer (I) obtained by reacting (a) a compound shown by the following general formula (1) and (b) at least one compound selected from the group consisting of a compound shown by the following general formula (2) and a compound shown by the following general formula (3) in an organic solvent in the presence of at least one of an alkali metal and an alkaline earth metal,         R1kCX4-k     (1)         R2kSiY4-k     (2)         R3mY3-mSiCR4nX3-n     (3) wherein R1 to R4 individually represent a monovalent organic group or a hydrogen atom, X represents a halogen atom, Y represents a halogen atom or an alkoxy group, k represents an integer from 0 to 3, and m and n individually represent integers from 0 to 2.

  本发明提供了一种聚合物的生产方法、一种聚合物、一种绝缘成膜组合物、一种绝缘膜的生产方法，以及一种能够形成薄膜的绝缘膜，该薄膜适合用作半导体器件或类似器件的层间电介质，并具有较低的相对介电常数、优异的机械强度和附着力以及均匀的质量。 生产本发明聚合物的方法包括在（A）聚碳酸酯硅烷存在下水解和缩合（B）含可水解基团的硅烷单体、聚碳硅烷(A)为聚合物(I)，由(a)下式(1)所示化合物和(b)至少一种选自下式(2)所示化合物和下式(3)所示化合物组成的组的化合物在有机溶剂中，在碱金属和碱土金属中至少一种存在下反应而得、 R1kCX4-k (1) R2kSiY4-k (2) R3mY3-mSiCR4nX3-n (3) 其中 R1 至 R4 分别代表一价有机基团或氢原子，X 代表卤素原子，Y 代表卤素原子或烷氧基，k 代表 0 至 3 的整数，m 和 n 分别代表 0 至 2 的整数。
• A Mild Synthesis of Vinyl Halides and <i>gem</i>-Dihalides Using Triphenyl Phosphite−Halogen-Based Reagents
  作者：Alberto Spaggiari、Daniele Vaccari、Paolo Davoli、Giovanni Torre、Fabio Prati

  DOI：10.1021/jo061346g

  日期：2007.3.1

  A new application of (PhO)(3)P-halogen-based reagents to the synthesis of vinyl halides and gem-dihalides is described. Vinyl halides were prepared in good to excellent yields from enolizable ketones, whereas aldehydes afforded the corresponding gem-dihalides. The halogenation proceeded smoothly under mild conditions.
• METALLOCENE COMPOUNDS AS CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION
  申请人：Chisso Corporation

  公开号：EP1066300A1

  公开（公告）日：2001-01-10

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