(±)-tert-butyl 2-(3,5-dibromo-4-(3-(dimethylamino)propoxy)-phenyl)-2-hydroxyethylcarbamate | 1426855-38-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (±)-tert-butyl 2-(3,5-dibromo-4-(3-(dimethylamino)propoxy)-phenyl)-2-hydroxyethylcarbamate
• 英文别名: tert-butyl N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]-2-hydroxyethyl]carbamate
• CAS: 1426855-38-0
• 化学式: C₁₈H₂₈Br₂N₂O₄
• 分子量: 496.239
• InChiKey: IMNJVHQATICHKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  71
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (±)-tert-butyl 2-(3,5-dibromo-4-(3-(dimethylamino)propoxy)-phenyl)-2-hydroxyethylcarbamate 在 吡啶 、 1-羟基苯并三唑 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 、 三氟乙酸 为溶剂， 反应 27.25h， 生成
  参考文献：
  名称：

  Bromotyrosine Alkaloids from the Australian Marine Sponge Pseudoceratina verrucosa

  摘要：

  Two new bromotyrosine alkaloids, pseudoceralidinone A (1) and aplysamine 7 (2), along with three known compounds were isolated from the Australian sponge Pseudoceratina verrucosa. Their structures were characterized by NMR and MS data and the synthetic route. Their cytotoxicity was evaluated against cancer cell lines (HeLa and PC3) and a noncancer cell line (NFF).

  DOI：

  10.1021/np300648d
• 作为产物：
  描述：

  奥克巴胺 在 盐酸 、 溴 、 potassium carbonate 、 potassium iodide 作用下， 以 水 、 丙酮 、 乙腈 为溶剂， 反应 17.5h， 生成 (±)-tert-butyl 2-(3,5-dibromo-4-(3-(dimethylamino)propoxy)-phenyl)-2-hydroxyethylcarbamate
  参考文献：
  名称：

  Bromotyrosine Alkaloids from the Australian Marine Sponge Pseudoceratina verrucosa

  摘要：

  Two new bromotyrosine alkaloids, pseudoceralidinone A (1) and aplysamine 7 (2), along with three known compounds were isolated from the Australian sponge Pseudoceratina verrucosa. Their structures were characterized by NMR and MS data and the synthetic route. Their cytotoxicity was evaluated against cancer cell lines (HeLa and PC3) and a noncancer cell line (NFF).

  DOI：

  10.1021/np300648d

文献信息

• Bromotyrosine Alkaloids from the Australian Marine Sponge <i>Pseudoceratina verrucosa</i>
  作者：Trong D. Tran、Ngoc B. Pham、Gregory Fechner、John N. A. Hooper、Ronald J. Quinn

  DOI：10.1021/np300648d

  日期：2013.4.26

  Two new bromotyrosine alkaloids, pseudoceralidinone A (1) and aplysamine 7 (2), along with three known compounds were isolated from the Australian sponge Pseudoceratina verrucosa. Their structures were characterized by NMR and MS data and the synthetic route. Their cytotoxicity was evaluated against cancer cell lines (HeLa and PC3) and a noncancer cell line (NFF).