ethyl 2-(4,9-dioxo-4,9-dihydronaphtho[2,3-d][1,3]-dithiol-2-imino)-3-phenylpropanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 2-(4,9-dioxo-4,9-dihydronaphtho[2,3-d][1,3]-dithiol-2-imino)-3-phenylpropanoate
• 英文别名: Ethyl 2-[(4,9-dioxobenzo[f][1,3]benzodithiol-2-ylidene)amino]-3-phenylpropanoate；ethyl 2-[(4,9-dioxobenzo[f][1,3]benzodithiol-2-ylidene)amino]-3-phenylpropanoate
• 化学式: C₂₂H₁₇NO₄S₂
• 分子量: 423.513
• InChiKey: ADVDQNWDMVCFGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  二硫化碳 、 ethyl 2-amino-3-phenylpropanoate hydrochloride 、 1,4-萘醌 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以88.2%的产率得到ethyl 2-(4,9-dioxo-4,9-dihydronaphtho[2,3-d][1,3]-dithiol-2-imino)-3-phenylpropanoate
  参考文献：
  名称：

  Efficient access to naphthoquinon-1,3-dithioles: formal cycloaddition and oxidation of quinones and amines with CS 2

  摘要：

  An efficient strategy for one-pot synthesis of a variety of naphthoquinon-1,3-dithiole derivatives has been developed. The combined action of the formal cycloaddition and oxidation reaction of quinones and amines in the presence of CS2 without additional oxidant produced naphthoquinon-1,3-dithiole derivatives in good yields. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.050

文献信息

• Facile One-pot Synthesis of Naphthoquinone–1,3-Dithioles via 2,3-Dichloro-1,4-naphthoquinone and Amines Involving CS₂
  作者：Huanming Huang、Jing Han、Fang Xu、Yujin Li、Huaqing Dong、Wubin Yu、Jianrong Gao

  DOI：10.1246/cl.130330

  日期：2013.8.5

  An efficient, simple, and facile one-pot approach of synthesizing naphthoquinone–1,3-dithioles via 2,3-dichloro-1,4-naphthoquinone and amines involving CS2 was investigated. Both amino acid esters ...

  研究了一种通过 2,3-二氯-1,4-萘醌和包含 CS2 的胺合成萘醌-1,3-二硫醇的高效、简单且简便的一锅法。两种氨基酸酯...
• Efficient access to naphthoquinon-1,3-dithioles: formal cycloaddition and oxidation of quinones and amines with CS 2
  作者：Huan-ming Huang、Yu-jin Li、Jian-rong Yang、Jian-hong Jia、Qing Ye、Liang Han、Jian-rong Gao

  DOI：10.1016/j.tet.2013.04.050

  日期：2013.6

  An efficient strategy for one-pot synthesis of a variety of naphthoquinon-1,3-dithiole derivatives has been developed. The combined action of the formal cycloaddition and oxidation reaction of quinones and amines in the presence of CS2 without additional oxidant produced naphthoquinon-1,3-dithiole derivatives in good yields. (C) 2013 Elsevier Ltd. All rights reserved.