1-硝基-2-[4-(2-硝基苯基)丁-1,3-二烯基]苯 | 87259-89-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-硝基-2-[4-(2-硝基苯基)丁-1,3-二烯基]苯
• 英文名称: (E,E)-1,4-bis(2-nitrophenyl)buta-1,3-diene
• 英文别名: 1,4-Di-o-nitrophenyl-1,3-butadien；(1E,3E)-1,4-Bis(2-nitrophenyl)buta-1,3-diene；1-nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene
• CAS: 87259-89-0
• 化学式: C₁₆H₁₂N₂O₄
• 分子量: 296.282
• InChiKey: NOBVYURTQVHAAH-FACPPWRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 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：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-硝基-2-[4-(2-硝基苯基)丁-1,3-二烯基]苯 在 palladium on activated charcoal 盐酸 、 sodium azide 、 氢气 、 sodium nitrite 作用下， 以 乙醚 为溶剂， 反应 21.0h， 生成 Triphenyl-[2-[4-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]butyl]phenyl]imino-lambda5-phosphane
  参考文献：
  名称：

  A New and Efficient Preparation of Cyclic Carbodiimides from Bis(iminophosphoranes) and the System Boc2O/DMAP

  摘要：

  A one-pot synthesis of cyclic carbodiimides which involves reaction of C,C-bis(aryliminophosphoranes) connected by aliphatic bridges with Boc(2)O in the presence of DMAP is described. The method is also applicable when a heteroatom such as oxygen or nitrogen is incorporated into the tether connecting the two aromatic rings. A conformation study has been carried out on carbodiimide 23a, which posseses a central nine-membered ring, using H-1 NMR spectroscopy and semiempirical as well as molecular mechanics calculations.

  DOI：

  10.1021/jo00103a022
• 作为产物：
  描述：

  2-nitrocinnamaldehyde 、 (2-硝基苄基)三苯基溴化膦,一水化合物 在 lithium methanolate 、 碘 作用下， 生成 1-硝基-2-[4-(2-硝基苯基)丁-1,3-二烯基]苯
  参考文献：
  名称：

  The total synthesis of (±)K252a

  摘要：

  The total synthesis of (+/-)K252a (1) has been achieved following a convergent approach in which an acid-catalyzed bis-glycosidation reaction serves as a key step.

  DOI：

  10.1016/0040-4039(95)01811-u

文献信息

• Substituted indoles and a process for preparing substituted indoles
  申请人：Davies W Ian

  公开号：US20070054921A1

  公开（公告）日：2007-03-08

  The instant invention is directed to novel compounds of Formulae (I) and (II), as wells a process for preparing compounds of Formula (II). The process comprises a palladium-catalyzed reductive cyclization of a compound of Formula (I) to produce a compound of Formula (II).

  本发明涉及式（I）和（II）的新化合物，以及制备式（II）的方法。该方法包括通过钯催化的还原环化反应将式（I）的化合物还原为式（II）的化合物。
• Hughes, Ian; Nolan, William P.; Raphael, Ralph A., Journal of the Chemical Society. Perkin transactions I, 1990, # 9, p. 2475 - 2480
  作者：Hughes, Ian、Nolan, William P.、Raphael, Ralph A.

  DOI：——

  日期：——
• HUGHES, IAN;NOLAN, WILLIAM P.;RAPHAEL, RALPH A., J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N, C. 2475-2480
  作者：HUGHES, IAN、NOLAN, WILLIAM P.、RAPHAEL, RALPH A.

  DOI：——

  日期：——
• The total synthesis of (±)K252a
  作者：Timothy B. Lowinger、Jingxi Chu、Patrick L. Spence

  DOI：10.1016/0040-4039(95)01811-u

  日期：1995.11

  The total synthesis of (+/-)K252a (1) has been achieved following a convergent approach in which an acid-catalyzed bis-glycosidation reaction serves as a key step.
• A New and Efficient Preparation of Cyclic Carbodiimides from Bis(iminophosphoranes) and the System Boc2O/DMAP
  作者：Pedro Molina、Mateo Alajarin、Pilar Sanchez-Andrada、Jose Elguero、Maria Luisa Jimeno

  DOI：10.1021/jo00103a022

  日期：1994.12

  A one-pot synthesis of cyclic carbodiimides which involves reaction of C,C-bis(aryliminophosphoranes) connected by aliphatic bridges with Boc(2)O in the presence of DMAP is described. The method is also applicable when a heteroatom such as oxygen or nitrogen is incorporated into the tether connecting the two aromatic rings. A conformation study has been carried out on carbodiimide 23a, which posseses a central nine-membered ring, using H-1 NMR spectroscopy and semiempirical as well as molecular mechanics calculations.