2-(1,3-Benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile | 136773-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(1,3-Benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile
• CAS: 136773-73-4
• 化学式: C₁₆H₉N₃O₂S
• 分子量: 307.332
• InChiKey: BWXNFWQWMRNUBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  518.4±60.0 °C(Predicted)
• 密度：
  1.432±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  亚甲基二磷酸四乙酯 、 2-(1,3-Benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile 在 sodium ethanolate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 以92%的产率得到
  参考文献：
  名称：

  Synthesis, properties, and perspectives of gem-diphosphono substituted-thiazoles

  摘要：

  A series of substituted arylidene thiazoles were allowed to react with Wittig-Homer (WH) reagent, tetraethyl methyl-1,1-bisphosphonate, to produce via Michael addition reaction the corresponding heteroarylmethylenebisphosphonates (BPs) in different yields according to the experimental conditions. Acid hydrolysis of the new BPs was undertaken to obtain the corresponding bisphosphonic acids. Prediction and the in vivo activity of the products in the rat adjuvant model are also discussed in terms of structure-activity relationships (SAR). (C) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.07.005
• 作为产物：
  描述：

  苯并噻唑-2-乙腈 、 邻硝基苯甲醛 以 乙醇 为溶剂， 反应 0.02h， 生成 2-(1,3-Benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile
  参考文献：
  名称：

  Dryanska, Veneta, Phosphorus, Sulfur and Silicon and the Related Elements, 1991, vol. 61, # 3.4, p. 325 - 329

  摘要：

  DOI：

文献信息

• Dryanska, Veneta, Phosphorus, Sulfur and Silicon and the Related Elements, 1991, vol. 61, # 3.4, p. 325 - 329
  作者：Dryanska, Veneta

  DOI：——

  日期：——
• Synthesis, properties, and perspectives of gem-diphosphono substituted-thiazoles
  作者：Wafaa M. Abdou、Neven A. Ganoub、Athina Geronikaki、Eman Sabry

  DOI：10.1016/j.ejmech.2007.07.005

  日期：2008.5

  A series of substituted arylidene thiazoles were allowed to react with Wittig-Homer (WH) reagent, tetraethyl methyl-1,1-bisphosphonate, to produce via Michael addition reaction the corresponding heteroarylmethylenebisphosphonates (BPs) in different yields according to the experimental conditions. Acid hydrolysis of the new BPs was undertaken to obtain the corresponding bisphosphonic acids. Prediction and the in vivo activity of the products in the rat adjuvant model are also discussed in terms of structure-activity relationships (SAR). (C) 2007 Elsevier Masson SAS. All rights reserved.