4-(trifluoroacetylamino)benzo<1,2,5>thiadiazole | 143697-08-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 英文名称: 4-(trifluoroacetylamino)benzo<1,2,5>thiadiazole
• 英文别名: 4-trifluoroacetylaminobenzo[c][1,2,5]thiadiazole；N-(2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide
• CAS: 143697-08-9
• 化学式: C₈H₄F₃N₃OS
• mdl: MFCD03235189
• 分子量: 247.2
• InChiKey: RYAYOQMHJCJCAB-UHFFFAOYSA-N

物化性质

• 沸点：
  348.5±42.0 °C(Predicted)
• 密度：
  1.659±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(trifluoroacetylamino)benzo<1,2,5>thiadiazole 在 氢氧化钾 、 重氮苯磺酸 作用下， 以 盐酸 、 丙酮 为溶剂， 生成 4-amino-7-(1-pyrrolidinyl)benzo[c][1,2,5]thiadiazole
  参考文献：
  名称：

  Preparation, Structure, and Amphoteric Redox Properties of p-Phenylenediamine-Type Dyes Fused with a Chalcogenadiazole Unit

  摘要：

  4,7-Bis(dialkylamino)benzo[c] [1,2,5]chalcogenadiazoles are a novel class of organic dyes that undergo reversible two-stage one-electron oxidation as well as one-electron reduction. They exhibit absorption maxima in the long-wavelength region, which are assigned as intramolecular charge transfer bands from the phenylenediamine moiety to the electron-accepting heterocycle. Their redox properties as well as molecular and crystal structures are affected by the alkyl substituents on the amino nitrogen and/or by the chalcogen atom (O, S, Se) in the heterocycle.

  DOI：

  10.1021/jo010808h
• 作为产物：
  描述：

  4-氨基-2,1,3-苯并噻二唑 、 三氟乙酸酐 以 四氯化碳 为溶剂， 以78%的产率得到4-(trifluoroacetylamino)benzo<1,2,5>thiadiazole
  参考文献：
  名称：

  Preparation, Structure, and Amphoteric Redox Properties of p-Phenylenediamine-Type Dyes Fused with a Chalcogenadiazole Unit

  摘要：

  4,7-Bis(dialkylamino)benzo[c] [1,2,5]chalcogenadiazoles are a novel class of organic dyes that undergo reversible two-stage one-electron oxidation as well as one-electron reduction. They exhibit absorption maxima in the long-wavelength region, which are assigned as intramolecular charge transfer bands from the phenylenediamine moiety to the electron-accepting heterocycle. Their redox properties as well as molecular and crystal structures are affected by the alkyl substituents on the amino nitrogen and/or by the chalcogen atom (O, S, Se) in the heterocycle.

  DOI：

  10.1021/jo010808h

文献信息

• Suzuki, Takanori; Okubo, Tsuneyuki; Okada, Akihisa, Heterocycles, 1993, vol. 35, # 1, p. 395 - 406
  作者：Suzuki, Takanori、Okubo, Tsuneyuki、Okada, Akihisa、Yamashita, Yoshiro、Miyashi, Tsutomu

  DOI：——

  日期：——
• Preparation, Structure, and Amphoteric Redox Properties of <i>p</i>-Phenylenediamine-Type Dyes Fused with a Chalcogenadiazole Unit
  作者：Takanori Suzuki、Takashi Tsuji、Tsuneyuki Okubo、Akihisa Okada、Yoshiaki Obana、Takanori Fukushima、Tsutomu Miyashi、Yoshiro Yamashita

  DOI：10.1021/jo010808h

  日期：2001.12.1

  4,7-Bis(dialkylamino)benzo[c] [1,2,5]chalcogenadiazoles are a novel class of organic dyes that undergo reversible two-stage one-electron oxidation as well as one-electron reduction. They exhibit absorption maxima in the long-wavelength region, which are assigned as intramolecular charge transfer bands from the phenylenediamine moiety to the electron-accepting heterocycle. Their redox properties as well as molecular and crystal structures are affected by the alkyl substituents on the amino nitrogen and/or by the chalcogen atom (O, S, Se) in the heterocycle.