1-phenyl-1,12-dicarba-closo-dodecaborane | 53065-73-9

• 英文名称: 1-phenyl-1,12-dicarba-closo-dodecaborane
• 英文别名: (1,12-dicarba-closo-dodecaboran-1-yl)benzene
• CAS: 53065-73-9
• 化学式: C₈H₁₆B₁₀
• 分子量: 220.325
• InChiKey: JJINZRBPIIGALZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  庚醛 、 1-phenyl-1,12-dicarba-closo-dodecaborane 以 乙二醇二甲醚 、 正己烷 为溶剂， 反应 1.5h， 以64%的产率得到(RS)-1-[(1-phenyl)-1,12-dicarba-closo-dodecaborane-12-yl]-heptan-1-ol
  参考文献：
  名称：

  Structure–Activity Relationship of para-Carborane Selective Estrogen Receptor β Agonists

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c00555
• 作为产物：
  描述：

  1-C6H5CO-12-C6H5-1,12-C2B10H10 在 C₂H₅ONa 作用下， 以 乙醇 为溶剂， 生成 1-phenyl-1,12-dicarba-closo-dodecaborane
  参考文献：
  名称：

  Zakharkin, L. I.; Kalinin, V. N.; Podvisotskaya, L. S., Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1970, p. 1227 - 1231

  摘要：

  DOI：

文献信息

• Syntheses and reactions of some new C-pentafluorophenyl and tetrafluorophenylene carborane systems
  作者：Andrei S Batsanov、Mark A Fox、Judith A.K Howard、Kenneth Wade

  DOI：10.1016/s0022-328x(99)00672-5

  日期：2000.3

  The reaction of para-PhCB10H10CLi with excess C6F6 produced para-PhCB10H10CC6F5 (52%) and the tetrafluorophenylene bridged system 1,4-(para-PhCB10H10C)2C6F4 (31%). The C-pentafluorophenyl compound para-PhCB10H10CC6F5 afforded good yields of 1,4-tetrafluorophenylene bridged carboranes with suitable nucleophilic reagents: 1-(para-PhCB10H10C)-4-(ortho-HCB10H10C)C6F4 from ortho-HCB10H10CLi, 1-(para-PhCB10H10C)-4-HOC6F4

  的反应段-PhCB 10 ħ 10个CLI与过量Ç 6 ˚F 6产生第-PhCB 10 ħ 10 CC 6 ˚F 5（52％）和桥接tetrafluorophenylene系统1,4-（对位-PhCB 10 ħ 10 C）2 C 6 F 4（31％）。C-五氟苯基化合物对-PhCB 10 H 10 CC 6 F 5用合适的亲核试剂可获得1,4-四氟亚苯基桥连的碳硼烷的良好收率：来自邻位-HCB 10 H 10的1-（对位PhCB 10 H 10 C）-4-（邻位-HCB 10 H 10 C）C 6 F 4来自KOH的CLi，1-（对-PhCB 10 H 10 C）-4-HOC 6 F 4和来自KOEt的1-（对-PhCB 10 H 10 C）-4-EtOC 6 F 4。添加单片碳硼烷，间-PhCB 10 H 10 CLi，至过量C 6 F 6产生间-PhCB 10 H 10 CC 6 F 5（19％）和两笼式碳硼烷1
• 1,2-Dicarba-<i>c</i><i>loso</i>-dodecaboran-1-yl Naphthalene Derivatives
  作者：Kiminori Ohta、Tokuhito Goto、Yasuyuki Endo

  DOI：10.1021/ic0509736

  日期：2005.11.1

  1,2-Dicarba-closo-dodecaboranes (o-carboranes) and naphthalenes have potential value as components or building blocks for supramolecular systems, We have efficiently synthesized 1-(1,2-dicarba-closo-dodecaboran-1-yl) naphthalene and 2-(1,2-dicarba-closo-dodecaboran-1-yl) naphthalene derivatives by employing three preparative methods: cyclization of the corresponding acetylenes with decaborane(14), an Ullmann-type coupling reaction of carboranes with aryl halide, and the aromatic nucleophilic substitution (SNAr) reaction of aryl-o-carboranes with nitrophenyl halide, The optimum conditions of each method for synthesis of the title compounds were also investigated.
• Design and synthesis of nonsteroidal progesterone receptor antagonists based on C,C′-diphenylcarborane scaffold as a hydrophobic pharmacophore
  作者：Shinya Fujii、Ayumi Yamada、Eiichi Nakano、Yuki Takeuchi、Shuichi Mori、Hiroyuki Masuno、Hiroyuki Kagechika

  DOI：10.1016/j.ejmech.2014.07.034

  日期：2014.9

  The progesterone receptor (PR) plays important roles in multiple physiological processes, including female reproduction. Here, we report the synthesis of nonsteroidal PR antagonists containing a boron cluster as the hydrophobic core. We found that 1,7-diphenyl-meta-carborane was the preferred substructure among the three carborane isomers. Compound 39 was the most potent PR antagonist (IC50: 29 nM). Compound 41 also exhibited potent activity (IC50: 93 nM), and did not bind to androgen receptor, glucocorticoid receptor or mineralocorticoid receptor. These compounds may be useful for investigating potential clinical applications of PR modulators.
• Stanko, V.I.; Klimova, A. I., Journal of general chemistry of the USSR
  作者：Stanko, V.I.、Klimova, A. I.

  DOI：——

  日期：——
• Zakharkin, L. I.; L'vov, A. I., Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1966, p. 128 - 130
  作者：Zakharkin, L. I.、L'vov, A. I.

  DOI：——

  日期：——