(1'-Ethoxycarbonylmethylsulfanyl-6,7,6',7'-tetrahydro-5H,5'H-[3,3']bi[[2]pyrindinyl]-1-ylsulfanyl)-acetic acid ethyl ester | 872353-34-9

• 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'-Ethoxycarbonylmethylsulfanyl-6,7,6',7'-tetrahydro-5H,5'H-[3,3']bi[[2]pyrindinyl]-1-ylsulfanyl)-acetic acid ethyl ester
• 英文别名: ethyl 2-[[3-[1-(2-ethoxy-2-oxoethyl)sulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]sulfanyl]acetate
• CAS: 872353-34-9
• 化学式: C₂₄H₂₈N₂O₄S₂
• 分子量: 472.629
• InChiKey: NBQNFNSTZYKNCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (1'-Ethoxycarbonylmethylsulfanyl-6,7,6',7'-tetrahydro-5H,5'H-[3,3']bi[[2]pyrindinyl]-1-ylsulfanyl)-acetic acid ethyl ester 在 Grubbs catalyst first generation lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成
  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：

  溴乙酸乙酯 、 1,1'-bis(methylthio)-3,3'-bi(cyclopenta[c]pyridine) 反应 15.0h， 以73%的产率得到(1'-Ethoxycarbonylmethylsulfanyl-6,7,6',7'-tetrahydro-5H,5'H-[3,3']bi[[2]pyrindinyl]-1-ylsulfanyl)-acetic acid ethyl ester
  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.