adamantylboronic acid dimethyl ester | 881183-51-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: adamantylboronic acid dimethyl ester
• CAS: 881183-51-3
• 化学式: C₁₂H₂₁BO₂
• 分子量: 208.109
• InChiKey: GKHTUBPTZBSCBJ-CDECOKDKSA-N

物化性质

• 沸点：
  230.8±7.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.74
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  二氯乙二肟 、 adamantylboronic acid dimethyl ester 、 FeCl2(acetonitrile)2 以 硝基甲烷 为溶剂， 以72%的产率得到[Fe(dichloroglyoxime(-2H))3(B(adamantyl))2]
  参考文献：
  名称：

  Cage iron(II) complexes with apical and ribbed adamantyl substituents: The creation of second (hydrophobic) shell of an encapsulated metal ion

  摘要：

  The iron(II) clathrochelates with apical adamantyl substituents were synthesized by the direct template reaction on a metal ion matrix. The nucleophilic substitutions of reactive hexachloride precursors with adamantylthiolate anion afforded hexa- and octaadamantyl cage iron(II) complexes. Clathrochelates obtained have been characterized using elemental analysis, NIALDI-TOF mass, IR, UV-ViS, Fe-57 Mossbauer and H-1, C-13 NMR spectroscopies, and X-ray crystallography. Configurations intermediate between trigonal prismatic and trigonal antiprismatic have been deduced for the low-spin iron(II) ion coordination polyhedra of all clathrochelates obtained using Fe-57 Mossbauer parameters and confirmed by X-ray crystallography data. Two apical and tip to six ribbed adamantyl substituents allow one to change the physical properties of clathrochelates synthesized in wide range. In particular, these substituents form second (hydrophobic) shell that opens up the possibility to membrane and cellular transport of the cage complexes. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.08.036

文献信息

• Synthesis, crystal polymorphism and spin crossover behavior of adamantylboron-capped cobalt(<scp>ii</scp>) hexachloroclathrochelate and its transformation into the Co^IIICo^IICo^III-bis-macrobicyclic derivative
  作者：Alexander S. Belov、Valentin V. Novikov、Anna V. Vologzhanina、Alexander A. Pavlov、Artem S. Bogomyakov、Yan V. Zubavichus、Roman D. Svetogorov、Genrikh E. Zelinskii、Yan Z. Voloshin

  DOI：10.1039/d2dt03300c

  日期：——

  such a 1 → 2 transformation is based on the photoinitiated radical oxidation of dichloromethane with air oxygen giving the reactive species. Cobalt(II) monoclathrochelate 1 was found to undergo a temperature-induced spin crossover (SCO) both in its solutions and in the solid state. In spite of the conformational rigidity of the corresponding quasiaromatic diboron-capped tris-α-dioximate framework, the

  单笼螯合钴 ( II ) 内部复合物 [Co(Cl 2 Gm) 3 (BAd) 2 ] 的快速结晶（其中 Cl 2 Gm 2−是二氯乙二肟二价阴离子，BAd 是金刚烷基硼封端基团，1），最初通过直接获得相应的螯合α-二肟酸和交联配体合成子在Co 2+离子作为基质上的模板缩合，来自苯或二氯甲烷，提供其结构三斜和六方多晶型物。它在空气气氛和阳光照射下从二氯甲烷中长时间重结晶出乎意料地得到了 Co III Co II Co的晶体III -三核十二氯双笼形螯合物内部复合物 [[Co III (Cl 2 Gm) 3 (BAd)] 2 Co II ] ( 2 )，其分子由两个大双环骨架和封装的低自旋 (LS) Co 3组成+离子，它们由作为双功能路易斯酸中心的 μ 3 -桥联 Co 2+离子交联。这种1 → 2转化最可能的途径是基于二氯甲烷与空气氧的光引发自由基氧化，产生活性物质。钴( II ) monoclasthrochelate