2-(methylimino)naphtho[2,3-d][1,3]dithiole-4,9-dione | 722484-76-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(methylimino)naphtho[2,3-d][1,3]dithiole-4,9-dione
• 英文别名: 2-Methyliminobenzo[f][1,3]benzodithiole-4,9-dione；2-methyliminobenzo[f][1,3]benzodithiole-4,9-dione
• CAS: 722484-76-6
• 化学式: C₁₂H₇NO₂S₂
• 分子量: 261.325
• InChiKey: NYGGENBGZMITCR-UHFFFAOYSA-N

物化性质

• 熔点：
  185-186 °C
• 沸点：
  428.0±55.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  97.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(methylimino)naphtho[2,3-d][1,3]dithiole-4,9-dione 在 盐酸 作用下， 生成 benzocyclohexa-2,5-diene-1,4-dione-1,3-thiole-2-one
  参考文献：
  名称：

  The Reaction of 2,3-Dichloro-1,4-naphthoquinone with Salts of Alkyl Substituted and Unsubstituted Dithiocarbamic Acids

  摘要：

  DOI：

  10.1021/ja01151a138
• 作为产物：
  描述：

  (4,9-dioxo-4,9-dihydro-naphtho[2,3-d][1,3]dithiol-2-ylidene)-dimethyl-ammonium; chloride 220.0 ℃ 、66.66 Pa 条件下， 生成 2-(methylimino)naphtho[2,3-d][1,3]dithiole-4,9-dione
  参考文献：
  名称：

  The Reaction of 2,3-Dichloro-1,4-naphthoquinone with Salts of Alkyl Substituted and Unsubstituted Dithiocarbamic Acids

  摘要：

  DOI：

  10.1021/ja01151a138

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.