4-Isocyanato-4'-nitroazobenzene | 157190-96-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 4-Isocyanato-4'-nitroazobenzene
• 英文别名: (E)-1-(4-Isocyanatophenyl)-2-(4-nitrophenyl)diazene；(4-isocyanatophenyl)-(4-nitrophenyl)diazene
• CAS: 157190-96-0
• 化学式: C₁₃H₈N₄O₃
• 分子量: 268.232
• InChiKey: YLHKYJAZLJOBPZ-UHFFFAOYSA-N

物化性质

• 熔点：
  109-110 °C
• 沸点：
  447.1±30.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-Isocyanato-4'-nitroazobenzene 、 N,N,N,N-四(3-氨基丙基)-1,4-丁二胺 以 乙腈 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  基于DAB-Am-4的比色受体，可检测氟和焦磷酸根阴离子

  摘要：

  通过尿素部分连接到发色团（氮杂基团）的柔性四臂聚丙烯亚胺四胺树枝状大分子（DAB-Am-4）核心产生了用于氟离子的比色传感器1，并且附着在类似组件上的荧光团（萘基）产生了图2显示了与焦磷酸盐阴离子的优异的缔合常数。

  DOI：

  10.1016/j.jfluchem.2011.12.016
• 作为产物：
  描述：

  三光气 、 分散橙 3 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 4-Isocyanato-4'-nitroazobenzene
  参考文献：
  名称：

  A steroid-based receptor for unprotected amino acids: the enantioselective recognition of l-tryptophan

  摘要：

  A cholapod receptor possessing urea binding sites at C3, C7, and C12 positions and with an intrinsic chiral structure was synthesized, and the binding abilities toward amino acids in both L- and D- forms (Trp, Phe, Leu, and Ala) were studied using (1)H NMR spectroscopy, UV-vis spectroscopy and computer simulation. Changes in (1)H NMR spectra of the receptor revealed that complexation with amino acids occurred via hydrogen bonding and CH-pi interactions. Binding to tryptophan was especially strong, and was found to be enantioselective (K(a)=480 M(-1) for L-Trp, 260 M(-1) for D-Trp). NOESY and computer simulations were used to investigate the structures of the diastereomeric complexes between the receptor and the tryptophan enantiomers. In the case of L-Trp the carboxylate group bound at the two ureas adjacent to C7 and C12, while D-Trp was positioned closer to the urea adjacent to C3. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.069

文献信息

• DEVICE FOR CARTILAGE REPAIR
  申请人：Hermsen Egidius Gerardus Maria

  公开号：US20080262618A1

  公开（公告）日：2008-10-23

  A prosthesis device comprising a body at least partly formed from a biocompatible segmented thermoplastic elastomer having crystallized blocks, and at least one functional component which is able to reversibly bond to the crystallized blocks, wherein the elastomer has cartilage regenerative properties. A method is provided for the preparation of the biocompatible elastomer having cartilage regenerative properties, and a method for incorporating the biocompatible elastomer in a prosthesis device able to grow into cartilage.

  一种假体设备，包括至少部分由生物相容的分段热塑性弹性体制成的本体，该弹性体具有结晶块，并且至少有一个功能组件能够可逆地结合到结晶块上，其中弹性体具有软骨再生特性。提供了制备具有软骨再生特性的生物相容性弹性体的方法，以及将生物相容性弹性体纳入能够生长成软骨的假体装置的方法。
• Masse, C. E.; Kim, W. H.; Vander-Wiede, K., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1994, vol. 256, p. 611 - 616
  作者：Masse, C. E.、Kim, W. H.、Vander-Wiede, K.、Kumar, J.、Tripathy, S. K.

  DOI：——

  日期：——
• A steroid-based receptor for unprotected amino acids: the enantioselective recognition of l-tryptophan
  作者：Anchalee Sirikulkajorn、Thawatchai Tuntulani、Vithaya Ruangpornvisuti、Boosayarat Tomapatanaget、Anthony P. Davis

  DOI：10.1016/j.tet.2010.06.069

  日期：2010.9

  A cholapod receptor possessing urea binding sites at C3, C7, and C12 positions and with an intrinsic chiral structure was synthesized, and the binding abilities toward amino acids in both L- and D- forms (Trp, Phe, Leu, and Ala) were studied using (1)H NMR spectroscopy, UV-vis spectroscopy and computer simulation. Changes in (1)H NMR spectra of the receptor revealed that complexation with amino acids occurred via hydrogen bonding and CH-pi interactions. Binding to tryptophan was especially strong, and was found to be enantioselective (K(a)=480 M(-1) for L-Trp, 260 M(-1) for D-Trp). NOESY and computer simulations were used to investigate the structures of the diastereomeric complexes between the receptor and the tryptophan enantiomers. In the case of L-Trp the carboxylate group bound at the two ureas adjacent to C7 and C12, while D-Trp was positioned closer to the urea adjacent to C3. (C) 2010 Elsevier Ltd. All rights reserved.
• DAB-Am-4 based colorimetric receptors for fluoride and pyrophosphate anions
  作者：Manish Khandelwal、In-Chul Hwang、Prakash Chandran R. Nair

  DOI：10.1016/j.jfluchem.2011.12.016

  日期：2012.3

  gave rise to the colorimetric sensor 1 for fluoride ions, and a fluorophore (naphthyl group) attached to a similar assembly resulted in 2 which showed an excellent association constant with pyrophosphate anions.

  通过尿素部分连接到发色团（氮杂基团）的柔性四臂聚丙烯亚胺四胺树枝状大分子（DAB-Am-4）核心产生了用于氟离子的比色传感器1，并且附着在类似组件上的荧光团（萘基）产生了图2显示了与焦磷酸盐阴离子的优异的缔合常数。