1,1'-thio-bis-(2-(1-oxa-3-oxo-4-aza-6-chlorohexyl)-naphthalene) | 1198335-35-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,1'-thio-bis-(2-(1-oxa-3-oxo-4-aza-6-chlorohexyl)-naphthalene)
• 英文别名: N-(2-chloroethyl)-2-[1-[2-[2-(2-chloroethylamino)-2-oxoethoxy]naphthalen-1-yl]sulfanylnaphthalen-2-yl]oxyacetamide
• CAS: 1198335-35-1
• 化学式: C₂₈H₂₆Cl₂N₂O₄S
• 分子量: 557.497
• InChiKey: OUGRKFYMNVIFOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,1'-thio-bis-(2-(1-oxa-3-oxo-4-aza-6-hydroxyhexyl)-naphthalene) 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 4.5h， 以96%的产率得到1,1'-thio-bis-(2-(1-oxa-3-oxo-4-aza-6-chlorohexyl)-naphthalene)
  参考文献：
  名称：

  Efficient Routes for the Synthesis of Dinaphthosulfide (BINOL Derivatives) and Dibenzosulfide Aza Podands Containing Ethanolamine

  摘要：

  Four new dinaphthosulfide and dibenzosulfide aza podands were synthesized. The synthesis of these podands was performed under three different reaction conditions: 1) diester, K(2)CO(3), methanol, and RT; 2) diester, ethanolamine, and microwave (MW); and 3) diacid dichloride, ethanolamine, Et(3)N, CH(2)Cl(2), RT. Two kinds of diester (dinaphthosulfide and dibenzosulfide) were used for the preparation of dihydroxy podands. These dihydroxy podands were reacted with thionyl chloride to afford dichloro podands. The second route gave excellent yields of dihydroxy podands. Dichloro podands are more soluble than dihydroxy podands in conventional solvents such as methanol, chloroform, and acetonitrile.

  DOI：

  10.1080/10426500802417059

文献信息

• Efficient Routes for the Synthesis of Dinaphthosulfide (BINOL Derivatives) and Dibenzosulfide Aza Podands Containing Ethanolamine
  作者：Esmael Rostami、Davood Heidaryan、Hanif Fattahi、Abbas Shockravi、Mehdi Zarei、Farokh Rakhshanderu

  DOI：10.1080/10426500802417059

  日期：2009.7.13

  Four new dinaphthosulfide and dibenzosulfide aza podands were synthesized. The synthesis of these podands was performed under three different reaction conditions: 1) diester, K(2)CO(3), methanol, and RT; 2) diester, ethanolamine, and microwave (MW); and 3) diacid dichloride, ethanolamine, Et(3)N, CH(2)Cl(2), RT. Two kinds of diester (dinaphthosulfide and dibenzosulfide) were used for the preparation of dihydroxy podands. These dihydroxy podands were reacted with thionyl chloride to afford dichloro podands. The second route gave excellent yields of dihydroxy podands. Dichloro podands are more soluble than dihydroxy podands in conventional solvents such as methanol, chloroform, and acetonitrile.