2,2-Bis(4-fluorophenyl)indene-1,3-dione | 208588-17-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-Bis(4-fluorophenyl)indene-1,3-dione
• CAS: 208588-17-4
• 化学式: C₂₁H₁₂F₂O₂
• 分子量: 334.322
• InChiKey: NIDOCILXOOGRSG-UHFFFAOYSA-N

物化性质

• 沸点：
  474.7±45.0 °C(Predicted)
• 密度：
  1.354±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-Bis(4-fluorophenyl)indene-1,3-dione 在 三乙胺 作用下， 以 乙二醇 为溶剂， 反应 1.75h， 生成 4,4'-二氟二苯甲烷
  参考文献：
  名称：

  Dilute magnetic III–V semiconductor spintronics materials: A first-principles approach

  摘要：

  Group-III nitride semiconductors, such as GaN, when doped with 3d transition metals such as Mn or Cr show ferromagnetism with high Curie temperature. Such dilute magnetic semiconductors (DMS) with larger band gaps and smaller lattice constants compared to GaAs based DMS, are potential candidates for room temperature spintronics devices. We have investigated the magnetic coupling between doped Mn (or Cr) atoms in clusters as well as crystals of GaN from first principles using molecular orbital theory for (GaN)(x)TM2 clusters and TB-LMTO band calculations for wurtzite structured (Ga14TM2)N-16 supercells. Our calculations reveal that the coupling between TM-impurity atoms is ferromagnetic with a bulk magnetic moment of similar to 3.5 mu(B) per Mn atom and similar to 2.7 mu(B) per Cr atom. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.commatsci.2005.07.004
• 作为产物：
  描述：

  氟苯 、 水合茚三酮 在 硫酸 作用下， 反应 2.0h， 以84%的产率得到2,2-Bis(4-fluorophenyl)indene-1,3-dione
  参考文献：
  名称：

  茚三酮与芳烃的Friedel-Crafts型反应研究

  摘要：

  摘要茚三酮（1, 1,2,3-茚三酮）与芳烃在浓硫酸存在下反应，以合理的产率在2-位生成单或二取代茚三酮衍生物。

  DOI：

  10.1080/00397919808007017

文献信息

• A Study on the Friedel-Crafts Type Reaction of Ninhydrin with Arenes
  作者：Hyun Nam Song、Mi Ra Seong、Ji Suk Son、Jae Nyoung Kim

  DOI：10.1080/00397919808007017

  日期：1998.5

  Abstract The reactions of ninhydrin (1, 1,2,3-indantrione) with arenes in the presence of concentrated sulfuric acid afforded mono- or di-substituted ninhydrin derivatives at the 2-position in reasonable yields.

  摘要茚三酮（1, 1,2,3-茚三酮）与芳烃在浓硫酸存在下反应，以合理的产率在2-位生成单或二取代茚三酮衍生物。
• Kundu, Sandip Kumar; Das, Suven; Pramanik, Animesh, Journal of Chemical Research, 2004, # 11, p. 781 - 783
  作者：Kundu, Sandip Kumar、Das, Suven、Pramanik, Animesh

  DOI：——

  日期：——
• Dilute magnetic III–V semiconductor spintronics materials: A first-principles approach
  作者：G.P. Das、B.K. Rao、P. Jena、Y. Kawazoe

  DOI：10.1016/j.commatsci.2005.07.004

  日期：2006.5

  Group-III nitride semiconductors, such as GaN, when doped with 3d transition metals such as Mn or Cr show ferromagnetism with high Curie temperature. Such dilute magnetic semiconductors (DMS) with larger band gaps and smaller lattice constants compared to GaAs based DMS, are potential candidates for room temperature spintronics devices. We have investigated the magnetic coupling between doped Mn (or Cr) atoms in clusters as well as crystals of GaN from first principles using molecular orbital theory for (GaN)(x)TM2 clusters and TB-LMTO band calculations for wurtzite structured (Ga14TM2)N-16 supercells. Our calculations reveal that the coupling between TM-impurity atoms is ferromagnetic with a bulk magnetic moment of similar to 3.5 mu(B) per Mn atom and similar to 2.7 mu(B) per Cr atom. (c) 2005 Elsevier B.V. All rights reserved.
• Acid-Catalyzed Condensations of Ninhydrin with Aromatic Compounds. Preparation of 2,2-Diaryl-1,3-indanediones and 3-(Diarylmethylene)isobenzofuranones¹
  作者：Douglas A. Klumpp、Shyla Fredrick、Siufu Lau、Kevin K. Jin、Robert Bau、G. K. Surya Prakash、George A. Olah

  DOI：10.1021/jo990197h

  日期：1999.7.1

  Ninhydrin (1) reacts with aromatic compounds in acid solution to give condensation products. In H2SO4, 1 reacts with arenes to give 2,2-diaryl-1,3-indanediones (2a-f). In superacidic triflic acid (CF3SO3H, TfOH), 1 reacts with arenes to give 3-(diarylmethylene)isobenzofuranones (3a-e). Products 3a-e are proposed to have formed by a condensation and rearrangement involving dicationic intermediates.

  茚三酮 (1) 在酸溶液中与芳香族化合物反应生成缩合产物。在 H2SO4 中，1 与芳烃反应生成 2,2-二芳基-1,3-茚二酮 (2a-f)。在超酸性三氟甲磺酸 (CF3SO3H, TfOH) 中，1 与芳烃反应生成 3-(二芳基亚甲基)异苯并呋喃酮 (3a-e)。建议通过涉及双阳离子中间体的缩合和重排形成产物 3a-e。苯并[f]茚三酮也在 H2SO4 中与 C6H6 反应生成类似的缩合产物。