5,17-Dithia-tricyclo[19.3.1.1^9,13]hexacosa-1(25),9,11,13(26),21,23-hexaene-2,7,14,19-tetrayne | 536724-99-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 5,17-Dithia-tricyclo[19.3.1.1^9,13]hexacosa-1(25),9,11,13(26),21,23-hexaene-2,7,14,19-tetrayne
• 英文别名: 5,17-Dithiatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaen-2,7,14,19-tetrayne
• CAS: 536724-99-9
• 化学式: C₂₄H₁₆S₂
• 分子量: 368.523
• InChiKey: USQWGLZSKUMJLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,17-Dithia-tricyclo[19.3.1.1^9,13]hexacosa-1(25),9,11,13(26),21,23-hexaene-2,7,14,19-tetrayne 以 various solvent(s) 为溶剂， 反应 6.0h， 生成 5,17-Dithiaheptacyclo[12.10.1.12,9.03,7.015,19.021,25.013,26]hexacosa-1(24),2(26),3(7),8,10,12,14(25),15(19),20,22-decaene
  参考文献：
  名称：

  Synthesis and properties of novel thiaarenecyclynes

  摘要：

  Novel thiaarenecyclynes 3 and 4 in which two thioether units and two benzene rings are alternately inserted into the single bonds of cyclooctatetrayne are synthesized. Their unique properties are described. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00148-5
• 作为产物：
  描述：

  3-碘苯胺 在 bis-triphenylphosphine-palladium(II) chloride 盐酸 、 sodium sulfide 、 aluminum oxide 、 copper(l) iodide 、 四溴化碳 、 碘 、 potassium carbonate 、 三乙胺 、 三苯基膦 、 sodium nitrite 、 碘甲烷 作用下， 以 乙醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 5,17-Dithia-tricyclo[19.3.1.1^9,13]hexacosa-1(25),9,11,13(26),21,23-hexaene-2,7,14,19-tetrayne
  参考文献：
  名称：

  Synthesis and properties of novel thiaarenecyclynes

  摘要：

  Novel thiaarenecyclynes 3 and 4 in which two thioether units and two benzene rings are alternately inserted into the single bonds of cyclooctatetrayne are synthesized. Their unique properties are described. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00148-5

文献信息

• Expanded cyclophanes 1. Synthesis and structure of 4,17-dithia[7.7]metacyclophane-1,6,14,19-tetrayne
  作者：Graham J. Bodwell、Tom J. Houghton、David Miller

  DOI：10.1016/s0040-4039(98)00233-0

  日期：1998.4

  The title compound 3 was synthesized in three steps from 1,3-dibromobenzene in 26% overall yield. In the solid state, the molecule adopts a twisted anti conformation which does not correspond to any known conformation of its lower alkynylogue, 2,11-dithia[3.3]metacyclophane 1. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Synthesis and properties of novel thiaarenecyclynes
  作者：Shigeya Kobayashi、Shinji Wakumoto、Yoshihiro Yamaguchi、Tateaki Wakamiya、Kunihisa Sugimoto、Yoshio Matsubara、Zen-ichi Yoshida

  DOI：10.1016/s0040-4039(03)00148-5

  日期：2003.2

  Novel thiaarenecyclynes 3 and 4 in which two thioether units and two benzene rings are alternately inserted into the single bonds of cyclooctatetrayne are synthesized. Their unique properties are described. (C) 2003 Elsevier Science Ltd. All rights reserved.