1,1'-Bis-(2-allyloxy-ethylsulfanyl)-6,7,6',7'-tetrahydro-5H,5'H-[3,3']bi[[2]pyrindinyl] | 872353-38-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,1'-Bis-(2-allyloxy-ethylsulfanyl)-6,7,6',7'-tetrahydro-5H,5'H-[3,3']bi[[2]pyrindinyl]
• 英文别名: 1-(2-prop-2-enoxyethylsulfanyl)-3-[1-(2-prop-2-enoxyethylsulfanyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine
• CAS: 872353-38-3
• 化学式: C₂₆H₃₂N₂O₂S₂
• 分子量: 468.684
• InChiKey: MSNDEBILDIVWDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  94.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,1'-Bis-(2-allyloxy-ethylsulfanyl)-6,7,6',7'-tetrahydro-5H,5'H-[3,3']bi[[2]pyrindinyl] 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 (15Z)-13,18-dioxa-10,21-dithia-29,30-diazapentacyclo[20.6.1.12,9.04,8.023,27]triaconta-1(29),2(30),3,8,15,22,27-heptaene 、
  参考文献：
  名称：

  S-Transalkylation/ring closing metathesis as a route to azathiamacrocycles incorporating 2,2′-bipyridine subunits

  摘要：

  A new route to cyclophanes 6a,b incorporating 2,2'-bipyridine subunits has been elaborated using as the key steps (1) S-transalkylation of 6.6'-bis(methylsulfyl)-2,2'-bipyridines 2a,b with ethyl bromoacetate resulting in the formation of 6,6'-bis[(ethoxycarbonyl)methylsulfanyl]-2.2'-bipyridines 3a,b and (2) ring-closing metathesis of the corresponding alkenyl ethers 5a,b. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.003
• 作为产物：
  描述：

  (1'-Ethoxycarbonylmethylsulfanyl-6,7,6',7'-tetrahydro-5H,5'H-[3,3']bi[[2]pyrindinyl]-1-ylsulfanyl)-acetic acid ethyl ester 在 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 1,1'-Bis-(2-allyloxy-ethylsulfanyl)-6,7,6',7'-tetrahydro-5H,5'H-[3,3']bi[[2]pyrindinyl]
  参考文献：
  名称：

  S-Transalkylation/ring closing metathesis as a route to azathiamacrocycles incorporating 2,2′-bipyridine subunits

  摘要：

  A new route to cyclophanes 6a,b incorporating 2,2'-bipyridine subunits has been elaborated using as the key steps (1) S-transalkylation of 6.6'-bis(methylsulfyl)-2,2'-bipyridines 2a,b with ethyl bromoacetate resulting in the formation of 6,6'-bis[(ethoxycarbonyl)methylsulfanyl]-2.2'-bipyridines 3a,b and (2) ring-closing metathesis of the corresponding alkenyl ethers 5a,b. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.003

文献信息

• S-Transalkylation/ring closing metathesis as a route to azathiamacrocycles incorporating 2,2′-bipyridine subunits
  作者：Danuta Branowska、Izabela Buczek、Katarzyna Kalińska、Justyna Nowaczyk、Andrzej Rykowski

  DOI：10.1016/j.tetlet.2005.10.003

  日期：2005.12

  A new route to cyclophanes 6a,b incorporating 2,2'-bipyridine subunits has been elaborated using as the key steps (1) S-transalkylation of 6.6'-bis(methylsulfyl)-2,2'-bipyridines 2a,b with ethyl bromoacetate resulting in the formation of 6,6'-bis[(ethoxycarbonyl)methylsulfanyl]-2.2'-bipyridines 3a,b and (2) ring-closing metathesis of the corresponding alkenyl ethers 5a,b. (c) 2005 Elsevier Ltd. All rights reserved.