3,27-Dioxa-11,19-dithia-33-azapentacyclo[27.3.1.113,17.04,9.021,26]tetratriaconta-1(33),4,6,8,13(34),14,16,21,23,25,29,31-dodecaene | 1115246-17-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,27-Dioxa-11,19-dithia-33-azapentacyclo[27.3.1.113,17.04,9.021,26]tetratriaconta-1(33),4,6,8,13(34),14,16,21,23,25,29,31-dodecaene
• 英文别名: 3,27-dioxa-11,19-dithia-33-azapentacyclo[27.3.1.113,17.04,9.021,26]tetratriaconta-1(33),4,6,8,13(34),14,16,21,23,25,29,31-dodecaene
• CAS: 1115246-17-7
• 化学式: C₂₉H₂₇NO₂S₂
• 分子量: 485.671
• InChiKey: QGMLVSUVZKESIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  82
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲醇 、 3,27-Dioxa-11,19-dithia-33-azapentacyclo[27.3.1.113,17.04,9.021,26]tetratriaconta-1(33),4,6,8,13(34),14,16,21,23,25,29,31-dodecaene 、 silver nitrate 以 二氯甲烷 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Mono- and dinuclear silver(I) complexes of benzene- and pyridine-bearing 20-membered thiaoxaaza macrocycles

  摘要：

  Two 20-membered penta- and hexadentate macrocycles containing one or two pyridine subunits, namely [20]aneNO(2)S(2) (L-1) and [20]aneN(2)O(2)S(2) (L-2), have been synthesized. Reaction of L-1 with silver(I) nitrate afforded a unique 2:2 (M:L) disilver(I) complex [mu(2)-Ag-2(L-1)(2)](NO3)(2) (1) in which two four-coordinate Ag atoms bridge two ligands to form a cyclic dimer. In contrast, an endo-dentate 1:1 monosilver(I) complexes [AgL2]X; [X = ClO4 (2) or PF6 (3)] which show isomorphous structures were obtained from the reactions of L2 with silver(l) salts. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2007.09.012

文献信息

• Mono- and dinuclear silver(I) complexes of benzene- and pyridine-bearing 20-membered thiaoxaaza macrocycles
  作者：Kaniz Fatima Sultana、So Young Lee、Ji-Eun Lee、Joobeom Seo、Shim Sung Lee

  DOI：10.1016/j.inoche.2007.09.012

  日期：2007.12

  Two 20-membered penta- and hexadentate macrocycles containing one or two pyridine subunits, namely [20]aneNO(2)S(2) (L-1) and [20]aneN(2)O(2)S(2) (L-2), have been synthesized. Reaction of L-1 with silver(I) nitrate afforded a unique 2:2 (M:L) disilver(I) complex [mu(2)-Ag-2(L-1)(2)](NO3)(2) (1) in which two four-coordinate Ag atoms bridge two ligands to form a cyclic dimer. In contrast, an endo-dentate 1:1 monosilver(I) complexes [AgL2]X; [X = ClO4 (2) or PF6 (3)] which show isomorphous structures were obtained from the reactions of L2 with silver(l) salts. (C) 2007 Elsevier B.V. All rights reserved.