2,13-Diheptyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine | 68725-71-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,13-Diheptyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
• 英文别名: 11,24-diheptyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
• CAS: 68725-71-3
• 化学式: C₃₄H₅₂O₆
• 分子量: 556.783
• InChiKey: HYBHORLKDFJXRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  二苯并-18-冠醚-6 、 庚酸 在 四磷十氧化物 、 镍 作用下， 生成 2,13-Diheptyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine 、 11,25-diheptyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
  参考文献：
  名称：

  Modified crown ether catalysts. 2. Synthesis of alkanoyl-, aroyl-, .alpha.-hydroxyalkyl- and alkylbenzo and alkylcyclohexano crown ethers

  摘要：

  DOI：

  10.1021/jo01311a033

文献信息

• Modified crown ether catalysts. 2. Synthesis of alkanoyl-, aroyl-, .alpha.-hydroxyalkyl- and alkylbenzo and alkylcyclohexano crown ethers
  作者：Paul E. Stott、Jerald S. Bradshaw、W. Wesley Parish、James W. Cooper

  DOI：10.1021/jo01311a033

  日期：1980.11
• Di(1H,1H,2H,2H-perfluorooctyl)-dibenzo-18-crown-6: A “light fluorous” recyclable phase transfer catalyst
  作者：Benoit Gourdet、Kuldip Singh、Alison M. Stuart、José A. Vidal

  DOI：10.1016/j.jfluchem.2010.06.002

  日期：2010.11

  series of dibenzo-18-crown-6 lariat ethers containing two C(7)H(15) (11) (CH(2))(2)C(6)F(13) (14) (CH(2))(2)C(8)F(17) (15) NHC(7)H(15) (18) and NHCH(2)C(6)F(13) (19) sidearms were prepared and the single crystal X-ray structure of cis-4 4'-di(1H 1H 2H 2H-perfluorodecyl)-dibenzo-18-crown 6 (15a) is reported The light fluorous dibenzo-18-crown-6 ether (14) has emerged as a stable and robust PTC catalyst which can be recycled efficiently by fluorous solid-phase extraction and gives better PTC catalytic activity compared to the parent non-fluorinated PTC catalyst dibenzo-18-crown-6 and the alkylated derivative (11) in aliphatic and aromatic nucleophilic substitutions (C) 2010 Elsevier B V All rights reserved