1,3-bis-(3-chlorophenoxy)benzene | 27841-02-7

• 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: 1,3-bis-(3-chlorophenoxy)benzene
• 英文别名: 1,3-Bis(3-chlorophenoxy)benzene
• CAS: 27841-02-7
• 化学式: C₁₈H₁₂Cl₂O₂
• 分子量: 331.198
• InChiKey: CLGSLTZBGIBCEY-UHFFFAOYSA-N

物化性质

• 沸点：
  426.8±40.0 °C(Predicted)
• 密度：
  1.301±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3-bis((η6-3-chlorophenoxy-η5-cyclopentadienyl)iron)benzene hexafluorophosphate 以 二氯甲烷 、 乙腈 为溶剂， 以87%的产率得到1,3-bis-(3-chlorophenoxy)benzene
  参考文献：
  名称：

  双（环戊二烯基铁）芳烃配合物：合成和官能化聚芳醚的新途径

  摘要：

  A new development in the chemistry of arenes activated toward S(N)Ar reactions by the cyclopentadienyliron (FeCp+) moiety is presented in this work. A class of diiron complexes of diphenoxybenzenes was prepared in a highly efficient and very mild fashion. Dihydroxyaromatic compounds served as dinucleophiles, allowing for the formation of the diiron complexes. This could be achieved in either a one or two step procedure. A wide variety of dinucleophiles were incorporated into this study, as well as a number of FeCp+ activated arenes. It is shown that these reactions are not inhibited by bulky substituents on either the dinucleophiles or activated arenes. The diiron complexes themselves could also undergo S(N)Ar reactions, provided that the complexed arenes contained a chlorine substituent. This allowed for the functionalization of the complexes with species that could not be introduced directly in their syntheses. The carbon nucleophiles generated from ethyl cyanoacetate or (phenylsulfonyl)acetonitrile could be attached to the complexed ethers in this manner. The FeCp+ moieties were removed easily by photolytic demetalation which allowed for the recovery of a wide range of functionalized diphenoxybenzenes. This methodology is advantageous over all those previously reported and should be a practical route to the synthesis of aromatic ethers.

  DOI：

  10.1021/om00013a055

文献信息

• POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL
  申请人：Kwansei Gakuin Educational Foundation

  公开号：EP3345911A1

  公开（公告）日：2018-07-11

  The present invention provides novel polycyclic aromatic compounds and organic electroluminescent elements using the same. The compounds are of formula (2) in which Y1 is P=O or P=S, X1 and X2 are oxygen and R1- R11 are as defined in the claims.

  本发明提供了新型多环芳烃化合物和使用这种化合物的有机电致发光元件。这些化合物为式（2），其中 Y1 为 P=O 或 P=S，X1 和 X2 为氧，R1- R11 如权利要求中所定义。
• [EN] POLYCYCLIC AROMATIC COMPOUND<br/>[FR] COMPOSÉ AROMATIQUE POLYCYCLIQUE<br/>[JA] 多環芳香族化合物
  申请人：KWANSEI GAKUIN EDUCATIONAL FOUNDATION

  公开号：WO2015102118A1

  公开（公告）日：2015-07-09

  　新規な多環芳香族化合物およびそれを用いた有機電界発光素子を提供することを課題とする。ホウ素原子と酸素原子などで複数の芳香族環を連結した新規な多環芳香族化合物を提供することで、有機ＥＬ素子用材料の選択肢を増やし、また、新規な多環芳香族化合物を有機電界発光素子用材料として用いて、優れた有機ＥＬ素子を提供することで、上記課題を解決する。