2,1,3-苯并恶二唑-4,7-二胺 | 215860-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 中文名称: 2,1,3-苯并恶二唑-4,7-二胺
• 英文名称: 4,7-diaminobenzo[c][1,2,5]oxadiazole
• 英文别名: 4,7-Diamino-2,1,3-benzoxadiazole；benzo[1,2,5]oxadiazole-4,7-diamine；benz[1,2,5]oxadiazole-4,7-diyldiamine；Benz[1,2,5]oxadiazol-4,7-diyldiamin；4,7-Diamino-benzofurazan；4.7-Diamino-benzofuran；2,1,3-Benzoxadiazole-4,7-diamine
• CAS: 215860-46-1
• 化学式: C₆H₆N₄O
• 分子量: 150.14
• InChiKey: QJPAUBXNKLEOLN-UHFFFAOYSA-N

物化性质

• 熔点：
  193-194 °C
• 沸点：
  380.8±45.0 °C(Predicted)
• 密度：
  1.542±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,1,3-苯并恶二唑-4,7-二胺 在 1,3-二甲基-2-咪唑啉酮 、 氢氧化钾 作用下， 以 四氯化碳 为溶剂， 反应 3.0h， 生成 4,7-bis(1-pyrrolidinyl)benzo[c][1,2,5]oxadiazole
  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-amino-7-nitro-2,1,3-benzoxadiazole 在 盐酸 、 铁粉 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.5h， 以61%的产率得到2,1,3-苯并恶二唑-4,7-二胺
  参考文献：
  名称：

  Uchiyama, Seiichi; Santa, Tomofumi; Fukushima, Takeshi, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1998, # 10, p. 2165 - 2173

  摘要：

  DOI：

文献信息

• 5-Oximinobenzo-2,1,3-oxadiazole-4-one derivatives
  作者：A.S. Angeloni、V. Ceré、D. Dal Monte、E. Sandri、G. Scapini

  DOI：10.1016/0040-4020(72)80137-6

  日期：1972.1

  derivatives of 5-oximinobenzo-2,1,3-oxadiazole-4-one is reported and their rearrangement to 4,7-dioximino derivatives of benzo-2,1,3-oxadiazole, 2-phenylbenzotriazole and benzotriazole described. Geometric isomerism related to oximino group was investigated. NMR spectra of 4,7-dioximes show the existence in solution of three geometrical isomers, whose configuration was assigned. The derivatives of 5-oximinobenzo-2

  据报道，制备了5-氧亚氨基苯并-2,1,3-恶二唑-4-one的某些衍生物，并将其重排为苯并-2,1,3-恶二唑，2-苯基苯并三唑和苯并三唑的4,7-二氧亚氨基衍生物。 。研究了与肟基相关的几何异构现象。4,7-二恶英的NMR光谱表明，存在三种几何异构体，并已对其构型进行分配。在此研究的5-氧亚氨基苯并-2,1,3-氧二唑-4-one的衍生物似乎仅以一种形式存在。
• Borsche; Weber, Justus Liebigs Annalen der Chemie, 1931, vol. 489, p. 270,277, 291
  作者：Borsche、Weber

  DOI：——

  日期：——
• [EN] WATER-SOLUBLE POLYMERIC DYES<br/>[FR] COLORANTS POLYMÈRES HYDROSOLUBLES
  申请人：BECTON DICKINSON CO

  公开号：WO2018111774A1

  公开（公告）日：2018-06-21

  Water soluble polymeric dyes and polymeric tandem dyes are provided. The polymeric dyes include a water solvated light harvesting multichromophore having a conjugated segment of aryl or heteroaryl co-monomers including branched non-ionic water soluble groups (WSG) comprising two or more water soluble polymers. In some cases, the branched non-ionic water soluble groups (WSG) of the present disclosure are capable of imparting solubility in water in excess of 50 mg/mL to the multichromophore. The polymeric tandem dyes further include a signaling chromophore covalently linked to the multichromophore in energy-receiving proximity therewith. Also provided are aggregation-resistant labelled specific binding members that include the subject water soluble polymeric dyes. Methods of evaluating a sample for the presence of a target analyte and methods of labelling a target molecule in which the subject polymeric dyes find use are also provided. Systems and kits for practicing the subject methods are also provided.
• [EN] POLYMERIC TANDEM DYES HAVING PENDANT NARROW EMISSION ACCEPTOR<br/>[FR] COLORANTS POLYMÈRES EN TANDEM PRÉSENTANT UN ACCEPTEUR D'ÉMISSION ÉTROIT LATÉRAL
  申请人：BECTON DICKINSON CO

  公开号：WO2020033173A1

  公开（公告）日：2020-02-13

  Polymeric tandem dyes are provided. The polymeric tandem dyes include a narrow emission fluorophore configured as a pendant acceptor in energy-receiving proximity to a donor water solvated light harvesting multichromophore. The narrow emission acceptor fluorophores of the present disclosure are capable of providing polymeric tandem dyes having a variety of narrow emission spectrums suitable for multiplexing. Also provided are compositions for multicolor fluorescent signal generation that include two or more polymeric tandem dyes. Methods of evaluating a sample for the presence of a target analyte and methods of labelling a target molecule in which the subject polymeric dyes find use are also provided. Systems and kits for practicing the subject methods are also provided.