4-amino-7-(1-pyrrolidinyl)benzo[c][1,2,5]thiadiazole | 143697-04-5

• 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-amino-7-(1-pyrrolidinyl)benzo[c][1,2,5]thiadiazole
• 英文别名: 4-Pyrrolidin-1-yl-2,1,3-benzothiadiazol-7-amine
• CAS: 143697-04-5
• 化学式: C₁₀H₁₂N₄S
• 分子量: 220.298
• InChiKey: NYGOQCOXEBXYLS-UHFFFAOYSA-N

物化性质

• 沸点：
  428.6±30.0 °C(Predicted)
• 密度：
  1.409±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  83.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 4-amino-7-(1-pyrrolidinyl)benzo[c][1,2,5]thiadiazole 在 sodium tetrahydroborate 、 硫酸 作用下， 以 四氢呋喃 、 水 为溶剂， 以63%的产率得到4-dimethylamino-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 在 氢氧化钾 、 重氮苯磺酸 作用下， 以 盐酸 、 四氯化碳 、 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

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.