(2-Hydroxy-ethyl)-[2-(1H-indol-7-yl)-ethyl]-carbamic acid tert-butyl ester | 748811-10-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (2-Hydroxy-ethyl)-[2-(1H-indol-7-yl)-ethyl]-carbamic acid tert-butyl ester
• 英文别名: Carbamic acid,(2-hydroxyethyl)[2-(1h-indol-7-yl)ethyl]-,1,1-dimethylethyl ester；tert-butyl N-(2-hydroxyethyl)-N-[2-(1H-indol-7-yl)ethyl]carbamate
• CAS: 748811-10-1
• 化学式: C₁₇H₂₄N₂O₃
• 分子量: 304.389
• InChiKey: YDPZAJCRFBDYNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  65.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-Hydroxy-ethyl)-[2-(1H-indol-7-yl)-ethyl]-carbamic acid tert-butyl ester 在 盐酸 、 TEA 、 potassium tert-butylate 、 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， 生成 3-(6-(tert-butoxycarbonyl)-4,5-dihydro-6H-[1,4]homodiazepino[6,7,1-hi]indol-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
  参考文献：
  名称：

  Preparation of novel aza-1,7-annulated indoles and their conversion to potent indolocarbazole kinase inhibitors

  摘要：

  The synthesis of novel aza-1,7-annulated indoles was achieved and these were converted to indolocarbazoles that proved to be potent kinase inhibitors. These compounds were also evaluated in a human colon carcinoma cell line and proved to be good antiproliferative agents. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.088
• 作为产物：
  描述：

  7-vinyl-1H-indole 在 硼烷四氢呋喃络合物 、 TEA 、 比沙可啶 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 (2-Hydroxy-ethyl)-[2-(1H-indol-7-yl)-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Preparation of novel aza-1,7-annulated indoles and their conversion to potent indolocarbazole kinase inhibitors

  摘要：

  The synthesis of novel aza-1,7-annulated indoles was achieved and these were converted to indolocarbazoles that proved to be potent kinase inhibitors. These compounds were also evaluated in a human colon carcinoma cell line and proved to be good antiproliferative agents. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.088

文献信息

• Preparation of novel aza-1,7-annulated indoles and their conversion to potent indolocarbazole kinase inhibitors
  作者：Rima S Al-awar、James E Ray、Kyle A Hecker、Sajan Joseph、Jianping Huang、Chuan Shih、Harold B Brooks、Charles D Spencer、Scott A Watkins、Richard M Schultz、Eileen L Considine、Margaret M Faul、Kevin A Sullivan、Stanley P Kolis、Michael A Carr、Faming Zhang

  DOI：10.1016/j.bmcl.2004.05.088

  日期：2004.8

  The synthesis of novel aza-1,7-annulated indoles was achieved and these were converted to indolocarbazoles that proved to be potent kinase inhibitors. These compounds were also evaluated in a human colon carcinoma cell line and proved to be good antiproliferative agents. (C) 2004 Elsevier Ltd. All rights reserved.