tert-butyl N-[2-[2-[2-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethoxy]ethoxy]ethoxy]ethyl]carbamate | 489432-06-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: tert-butyl N-[2-[2-[2-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethoxy]ethoxy]ethoxy]ethyl]carbamate
• CAS: 489432-06-6
• 化学式: C₂₅H₃₁BrN₂O₇
• 分子量: 551.434
• InChiKey: VEOHFTFQUHGBBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  35
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[2-[2-[2-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethoxy]ethoxy]ethoxy]ethyl]carbamate 在 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 39.0h， 生成 tert-butyl N-[2-[2-[2-[2-[6-[2-[2-[2-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethoxy]ethoxy]ethoxy]ethylamino]-1,3-dioxobenzo[de]isoquinolin-2-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamate
  参考文献：
  名称：

  Synthesis and photochemical protein crosslinking studies of hydrophilic naphthalimides

  摘要：

  A mixture of 4-alkylamino-1,8-naphthalimides has previously been reported to exhibit potential utility as a photochemical tissue-bonding reagent. In order to determine which constituents of the mixture were responsible for the observed tissue bonding and to facilitate study of the mechanism, we have synthesized each of the primary constituents of the mixture. Each naphthalimide synthesized has been demonstrated to photochemically crosslink proteins. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00050-1
• 作为产物：
  描述：

  3,6,9-三氧杂十一烷-1,11-二胺 以 乙醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 tert-butyl N-[2-[2-[2-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethoxy]ethoxy]ethoxy]ethyl]carbamate
  参考文献：
  名称：

  Synthesis and photochemical protein crosslinking studies of hydrophilic naphthalimides

  摘要：

  A mixture of 4-alkylamino-1,8-naphthalimides has previously been reported to exhibit potential utility as a photochemical tissue-bonding reagent. In order to determine which constituents of the mixture were responsible for the observed tissue bonding and to facilitate study of the mechanism, we have synthesized each of the primary constituents of the mixture. Each naphthalimide synthesized has been demonstrated to photochemically crosslink proteins. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00050-1