dibenzo[c,e][1,2,7]-oxadiborepine-5,7-diol | 1338796-59-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: dibenzo[c,e][1,2,7]-oxadiborepine-5,7-diol
• 英文别名: 5,7-Dihydroxybenzo[d][2,1,3]benzoxadiborepine
• CAS: 1338796-59-0
• 化学式: C₁₂H₁₀B₂O₃
• 分子量: 223.832
• InChiKey: KAJYCDQPYVIPHK-UHFFFAOYSA-N

物化性质

• 沸点：
  437.8±28.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.24
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  dibenzo[c,e][1,2,7]-oxadiborepine-5,7-diol 在 Me₃SiCl 作用下， 以 乙醚 、 氘代苯 为溶剂， 生成 5-(dimethyl-l4-sulfaneyl)-5H-dibenzo[b,d]borole
  参考文献：
  名称：

  9-H-9-Borafluorene dimethyl sulfide adduct: a product of a unique ring-contraction reaction and a useful hydroboration reagent

  摘要：

  二甲基硫醚加合物 2(DMS) 是不稳定氢硼化试剂 9-H-9-硼芴 (2) 的结晶贮存形式；在原位生成的 [2]2 或 1,2-(2,2′-联苯基)二硼烷(6) (7) 中加入二甲基硫醚即可得到 2(DMS)。

  DOI：

  10.1039/c1cc14888e
• 作为产物：
  描述：

  1,2-二溴苯 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 5.5h， 生成 dibenzo[c,e][1,2,7]-oxadiborepine-5,7-diol
  参考文献：
  名称：

  π‐Radical Cascade to a Chiral Saddle‐Shaped Peropyrene

  摘要：

  Reactions of open‐shell molecular graphene fragments are typically thought of as undesired decomposition processes because they lead to the loss of desired features like π‐magnetism. Oxidative dimerization of phenalenyl to peropyrene shows, however, that these transformations hold promise as a synthetic tool for making complex structures via formation of multiple bonds and rings in a single step. Here, we explore the feasibility of using this “undesired” reaction of phenalenyl to build up strain and provide access to non‐planar polycyclic aromatic hydrocarbons. To this end, we designed and synthesized a biradical system with two phenalenyl units linked via a biphenylene backbone. The design facilitates an intramolecular cascade reaction to a helically twisted saddle‐shaped product, where the key transformations—ring‐closure and ring‐fusion—occur within one reaction. The negative curvature of the final peropyrene product, induced by the formed eight‐membered ring, was confirmed by single‐crystal X‐ray diffraction analysis and the helical twist was validated via resolution of the product's enantiomers that display circularly polarized luminescence and high configurational stability.

  DOI：

  10.1002/anie.202318254

文献信息

• [EN] CATALYST COMPRISING A METALLOCENE COMPLEX AND A CO-CATALYST<br/>[FR] CATALYSEUR COMPRENANT UN COMPLEXE MÉTALLOCÈNE ET UN CO-CATALYSEUR
  申请人：SABIC GLOBAL TECHNOLOGIES BV

  公开号：WO2017118617A1

  公开（公告）日：2017-07-13

  The invention relates to a metallocene complex according to formula I or II wherein M is a metal selected from lanthanides or transition metals from group 3, 4, 5 or 6 of the Periodic System of the Elements, Q is an anionic ligand to M, k is the number of Q groups and equals the valence of M minus 2, R is a divalent bridging group, R1, R2, R3 and R4 are each independently chosen from the group consisting of hydrogen (H); a halogen atom; a silyl, alkyl, cycloalkyl, aryl, alkylaryl or arylalkyl group; and R5, R6, R7 and R8 are each independently chosen from the group consisting of hydrogen (H); a halogen atom; a silyl, alkyl, cycloalkyl, aryl, alkylaryl or arylalkyl group; or two adjacent radicals R5 and R6, R6 and R7, and R7 and R8 are connected with each other in a hydrocarbon ring system. The invention also relates to a catalyst comprising the metallocene complex, to a process for making polyolefins and to the use of the polyolefins for making articles.

  该发明涉及一种配位基于公式I或II的金属环戊二烯络合物，其中M是来自元素周期表3、4、5或6族的镧系元素或过渡金属的金属，Q是连接到M的阴离子配体，k是Q基团的数量，等于M的价数减去2，R是二价桥联基团，R1、R2、R3和R4分别独立地选择自氢（H）、卤素原子、硅烷基、烷基、环烷基、芳基、烷基芳基或芳基烷基群；R5、R6、R7和R8分别独立地选择自氢（H）、卤素原子、硅烷基、烷基、环烷基、芳基、烷基芳基或芳基烷基群；或者相邻的基团R5和R6、R6和R7、以及R7和R8在碳氢环系统中相互连接。该发明还涉及包含该金属环戊二烯络合物的催化剂，用于制备聚烯烃的方法以及将聚烯烃用于制造物品的用途。
• [EN] PROCESS FOR PRODUCING A BIPHENYL METALLOCENE COMPLEX<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN COMPLEXE DE TYPE MÉTALLOCÈNE DE BIPHÉNYLE
  申请人：SABIC GLOBAL TECHNOLOGIES BV

  公开号：WO2021198509A1

  公开（公告）日：2021-10-07

  The invention relates to a process for preparing a boronic anhydride compound of formula (1), wherein, R1 - R4 are substituents as defined in the disclosure and 'B' stands for the element boron. The invention also describes a process of using the boronic anhydride of formula (1), to prepare a biphenyl metallocene complex of formula (4), wherein, R1 to R10, are substituents as defined in the disclosure; and wherein 'M' is a transition metal element, 'Q' is an halide anion, and 'P' is the valency of the transition metal element 'M' and indicates the number of halide anion present. In addition, the invention further describes a process of purifying the metallocene complex of formula (4) so as to render the overall metallocene complex synthesis process environmentally sustainable as well as cost effective by minimizing waste effluents.

  本发明涉及制备式（1）的硼酸酐化合物的过程，其中R1-R4是如本说明书所定义的取代基，'B'代表硼元素。本发明还描述了使用式（1）的硼酸酐来制备式（4）的联苯基金属茂配合物的过程，其中R1至R10是如本说明书所定义的取代基；'M'是过渡金属元素，'Q'是卤素阴离子，'P'是过渡金属元素'M'的价数，并表示存在的卤素阴离子的数量。此外，本发明还描述了纯化式（4）的茂配合物的过程，以使整个茂配合物合成过程在环境可持续和成本效益方面最大程度地减少废水排放。