4,7-bis(trifluoroacetylamino)benzo[c][1,2,5]thiadiazole | 143697-09-0

• 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: 4,7-bis(trifluoroacetylamino)benzo[c][1,2,5]thiadiazole
• 英文别名: 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]-2,1,3-benzothiadiazol-7-yl]acetamide
• CAS: 143697-09-0
• 化学式: C₁₀H₄F₆N₄O₂S
• 分子量: 358.224
• InChiKey: WMSYPEMWGCTJCA-UHFFFAOYSA-N

物化性质

• 沸点：
  453.0±45.0 °C(Predicted)
• 密度：
  1.805±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  4,7-bis(trifluoroacetylamino)benzo[c][1,2,5]thiadiazole 在 氢氧化钾 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 2.0h， 生成 1,2-diamino-3,6-bis(1-pyrrolidinyl)benzene
  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 在 重氮苯磺酸 作用下， 以 盐酸 、 四氯化碳 为溶剂， 反应 3.17h， 生成 4,7-bis(trifluoroacetylamino)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

文献信息

• 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.