7H,14H,21H-bis[1,3,2]benzodiazaborolo[1',2':3,4;1",2":5,6][1,3,5,2,4,6]triazatriborino[1,2-a][1,3,2]benzodiazaborole | 199-15-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 7H,14H,21H-bis[1,3,2]benzodiazaborolo[1',2':3,4;1",2":5,6][1,3,5,2,4,6]triazatriborino[1,2-a][1,3,2]benzodiazaborole
• 英文别名: 7H,14H,21H-bis[1,3,2]benzodiazaborolo[1',2':3,4;1'',2'':5,6][1,3,5,2,4,6]triazatriborinino[1,2-a][1,3,2]benzodiazaborole；5H,12H,19H-tris(1,3,2-benzodiazoborolo)borazine；7H,14H,21H-tris(benzo[4,5][1,3,2]diazaborolo)[1,2-a;1',2'-c;1'',2''-e][1,3,5,2,4,6]triazatriborinine；5H,12H,19H-Triazatriborino<1,2-a:3,4a':5,6a'>tris<1,3,2>benzodiazaborol；5H,12H,19H-Tris-<1,3,2-benzodiazaborolo>-borazin；5H,12H,19H-Tris<1,3,2-benzodiazaborolo>-borazin；2,9,11,18,20,27-hexaza-1,10,19-triboraheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-3,5,7,12,14,16,21,23,25-nonaene
• CAS: 199-15-5
• 化学式: C₁₈H₁₅B₃N₆
• 分子量: 347.79
• InChiKey: IGNNMKSNUUXFOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  495.0±28.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)
• 熔点：
  350-390 °C (decomp)

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  27.0
• 可旋转键数：
  0.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.81
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  benzo-2-chloro-1,3,2-diazaborolane 在 三乙胺 作用下， 以 苯 为溶剂， 生成 7H,14H,21H-bis[1,3,2]benzodiazaborolo[1',2':3,4;1",2":5,6][1,3,5,2,4,6]triazatriborino[1,2-a][1,3,2]benzodiazaborole
  参考文献：
  名称：

  Boron-Nitrogen Compounds. VIII.^1,2 2-Dimethylamino-1,3,2-benzodiazaboroline

  摘要：

  DOI：

  10.1021/jo01059a539

文献信息

• Boric Acid-Catalyzed Direct Condensation of Carboxylic Acids with Benzene-1,2-diamine into Benzimidazoles
  作者：Nenad Maraš、Marijan Kočevar

  DOI：10.1002/hlca.201100064

  日期：2011.10

  applicability of boric acid catalysis for the direct condensation of carboxylic acids with benzene‐1,2‐diamine to give 2‐substituted benzimidazoles was investigated. It was found that catalytic amounts (5–10 mol‐%) of boric acid efficiently promote the cyclocondensation of aliphatic carboxylic acids in refluxing toluene. In addition, the relatively neutral conditions allow the use of acid‐sensitive substrates

  研究了硼酸催化用于羧酸与苯1,2-二胺直接缩合生成2取代的苯并咪唑的适用性。发现催化量（5-10 mol％）的硼酸可有效促进脂肪族羧酸在回流甲苯中的环缩合。此外，相对中性的条件允许使用酸敏感的底物，并引起某些经典方法无法观察到的特定转化和选择性。发现苯甲酸的反应性低于脂族酸，因此需要回流二甲苯以提高效率。苯硼酸由于与苯1,2-二胺缩合生成2-苯基苯并二氮杂硼酸酯而迅速消耗，因此被发现是无活性的催化剂。
• Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes
  作者：Lothar Weber、Jan Kahlert、Lena Böhling、Andreas Brockhinke、Hans-Georg Stammler、Beate Neumann、Rachel A. Harder、Paul J. Low、Mark A. Fox

  DOI：10.1039/c2dt32378h

  日期：——

  Fifteen C-diazaborolyl-ortho-carboranes, 1-R′-2-R′′-1,2-C2B10H10, where R′ represents the groups 2-(1,3-Et2-1,3,2-N2BC6H4)-, 2-(1,3-Ph2-1,3,2-N2BC6H4)-, 2-(1,3-Ph2-5,6-Me2-1,3,2-N2BC6H2)-, 2-(1,3-iPr2-1,3,2-N2BC6H4)-, and 2-(1,3,2-N2BC6H6)- and where R′′ is H, Me, Ph, tBu or SiMe3, were synthesized. Cyclic voltammetry studies of the compounds showed irreversible oxidation waves which are caused by the oxidation of the heterocycle. Those C-diazaborolyl-ortho-carboranes with Ph, tBu and SiMe3 substituents at the adjacent C-atom of the cage displayed two one-electron reduction waves reflecting the formation of stable radical monoanions with unusual (2n + 3) skeletal electron counts. The geometries of these anions were determined by combinations of infrared, UV-visible spectroelectrochemical and computational studies. Additionally the structures of seven new C-diazaborolyl-ortho-carboranes and one new 2-bromo-1,3,2-benzodiazaborole were determined by X-ray crystallography and compared with previously obtained structures.

  合成了十五种C-二氮硼烯-邻氮杂卡宾，1-R′-2-R′′-1,2-C2B10H10，其中R′代表的取代基为2-(1,3-Et2-1,3,2-N2BC6H4)-、2-(1,3-Ph2-1,3,2-N2BC6H4)-、2-(1,3-Ph2-5,6-Me2-1,3,2-N2BC6H2)-、2-(1,3-iPr2-1,3,2-N2BC6H4)-和2-(1,3,2-N2BC6H6)-，而R′′为H、Me、Ph、tBu或SiMe3。对这些化合物进行循环伏安法研究时发现其显示出不可逆的氧化波，这种现象是由杂环的氧化引起的。具有Ph、tBu和SiMe3取代基的C-二氮硼烯-邻氮杂卡宾在笼体相邻C原子上表现出两条单电子还原波，反映出形成了具有不寻常（2n + 3）骨架电子计数的稳定自由基单阴离子。这些阴离子的几何结构通过红外、紫外可见光光谱电化学和计算研究的结合得以确定。此外，七种新的C-二氮硼烯-邻氮杂卡宾和一种新的2-溴-1,3,2-苯二氮硼烯的结构通过X射线晶体学确定，并与之前获得的结构进行了比较。
• Über Die Umsetzung von triarylphosphiten, triarylphosphoniten und triarylboraten mit aromatischen diaminen
  作者：K. Pilgram、F. Korte

  DOI：10.1016/0040-4020(63)80015-0

  日期：1963.1

  Heterocyclic phosphorus-III-compounds have been obtained from aromatic diamines and triaryl-phosphites and -phosphonites, resp., in a one-step-reaction. B-Triamino-N-triarylborazines result from reaction of aromatic o-diamines and triarylborates.

  杂环磷-III-化合物已经从芳族二胺和三芳基-亚磷酸酯和-亚膦酸酯以一步法获得。B-三氨基-N-三芳基硼嗪是由芳族邻二胺与硼酸三芳基酯反应制得的。
• Semiconducting Amorphous Film Containing Carbon Nitrogen and Boron
  作者：Leon Maya

  DOI：10.1149/1.2095953

  日期：1988.5.1

  A semiconductor amorphous film containing carbon, nitrogen, and boron was deposited on a variety of substrates through the pyrolysis, in a closed system, of a borazine derivative. Physical and physicochemical characterization revealed a carbonaceous material having an amorphous matrix similar to vitreous carbon, but denser, with embedded crystallites of boron nitride. The film is highly reflective

  在封闭系统中，通过硼嗪衍生物的热解，在各种衬底上沉积含有碳、氮和硼的半导体非晶膜。物理和物理化学表征揭示了一种碳质材料，其具有类似于玻璃碳的无定形基体，但密度更大，具有嵌入的氮化硼微晶。该薄膜具有高反射性、粘附性、硬度，并且表现为窄带半导体。带隙容易通过化学处理而改变
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.5, 1.2, page 2 - 7
  作者：

  DOI：——

  日期：——