(E)-3-([1,1'-biphenyl]-4-yl)-1-(3-bromophenyl)prop-2-en-1-one | 1217435-74-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (E)-3-([1,1'-biphenyl]-4-yl)-1-(3-bromophenyl)prop-2-en-1-one
• 英文别名: (E)-3-biphenyl-4-yl-1-(3-bromo-phenyl)-propenone；(E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one；(E)-1-(3-bromophenyl)-3-(4-phenylphenyl)prop-2-en-1-one
• CAS: 1217435-74-9
• 化学式: C₂₁H₁₅BrO
• 分子量: 363.253
• InChiKey: SREORRSFSPSKJJ-SDNWHVSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  23
• 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：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-3-([1,1'-biphenyl]-4-yl)-1-(3-bromophenyl)prop-2-en-1-one 、 2,3-丁二烯酸乙酯 在 hydroquinidine-9-phenanthryl ether 作用下， 反应 48.0h， 以98%的产率得到(E)-ethyl 2-(4-([1,1'-biphenyl]-4-yl)-6-(3-bromophenyl)-3,4-dihydro-2H-pyran-2-ylidene)acetate
  参考文献：
  名称：

  Development of a Formal Catalytic Asymmetric [4 + 2] Addition of Ethyl-2,3-butadienoate with Acyclic Enones

  摘要：

  Allene esters are unique not only as excellent electrophiles but also because of their ability for subsequent reactivity after the initial nucleophilic attack. A mechanistically inspired cyclization using ethyl-2,3-butadienoate and acyclic enones to provide dihydropyrans In excellent yields and enantioselectivity under solvent-free conditions at room temperature is reported.

  DOI：

  10.1021/ol202301f
• 作为产物：
  描述：

  3'-溴苯乙酮 、 对苯基苯甲醛 在 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 5.8h， 生成 (E)-3-([1,1'-biphenyl]-4-yl)-1-(3-bromophenyl)prop-2-en-1-one
  参考文献：
  名称：

  WO2006/67976

  摘要：

  公开号：

文献信息

• Organic Compound, Charge-Transporting Material, and Organic Electroluminescent Element
  申请人：Yabe Masayoshi

  公开号：US20080145699A1

  公开（公告）日：2008-06-19

  There are provided an organic having both excellent hole transporting property and satisfactory electron transporting and showing excellent durability against electric oxidation/reduction and a high triplet excitation level, and a charge transporting material and an organic electroluminescent device each using the organic compound. The organic compound is represented by following Formula (I): wherein Cz 1 and Cz 2 each represent a carbazolyl group; Z represents a direct bond or an arbitrary linkage group enabling the conjugation of nitrogen atoms in the carbazole rings of Cz 1 and Cz 2 with each other; and Q represents a direct bond connecting to “G” in following Formula (II): wherein Ring B 1 represents a six-membered aromatic heterocyclic ring having “n” nitrogen atom(s) as hetero atom(s); “n” represents an integer of from 1 to 3; G represents a direct bond or an arbitrary linkage group connecting to Q when G connects to Q; Gs connect to carbon atoms at the ortho-position and the para-position with respect to nitrogen atom(s) in Ring B 1 ; G represents an aromatic hydrocarbon group when G does not connect to Q; and “m” represents an integer of from 3 to 5.

  提供了一种具有优异的空穴传输性能和令人满意的电子传输性能，并且表现出对电氧化/还原的优异耐久性和高三重激发水平的有机化合物，以及使用该有机化合物的电荷传输材料和有机电致发光器件。该有机化合物由以下式（I）表示：其中，Cz1和Cz2分别表示一个咔唑基团；Z表示直接键或任意连接基团，使Cz1和Cz2的咔唑环中的氮原子共轭连接在一起；Q表示连接到以下式（II）中的“G”的直接键：其中，环B1表示具有“n”个氮原子作为杂原子的六元芳香杂环；“n”表示从1到3的整数；G表示直接键或任意连接基团，当G连接到Q时；Gs连接到环B1中的氮原子的邻位和对位的碳原子上；当G未连接到Q时，G表示芳香烃基团；“m”表示从3到5的整数。
• ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：YABE Masayoshi

  公开号：US20090191426A2

  公开（公告）日：2009-07-30

  There are provided an organic having both excellent hole transporting property and satisfactory electron transporting and showing excellent durability against electric oxidation/reduction and a high triplet excitation level, and a charge transporting material and an organic electroluminescent device each using the organic compound. The organic compound is represented by following Formula (I): wherein Cz 1 and Cz 2 each represent a carbazolyl group; Z represents a direct bond or an arbitrary linkage group enabling the conjugation of nitrogen atoms in the carbazole rings of Cz 1 and Cz 2 with each other; and Q represents a direct bond connecting to “G” in following Formula (II): wherein Ring B 1 represents a six-membered aromatic heterocyclic ring having “n” nitrogen atom(s) as hetero atom(s); “n” represents an integer of from 1 to 3; G represents a direct bond or an arbitrary linkage group connecting to Q when G connects to Q; Gs connect to carbon atoms at the ortho-position and the para-position with respect to nitrogen atom(s) in Ring B 1 ; G represents an aromatic hydrocarbon group when G does not connect to Q; and “m” represents an integer of from 3 to 5.

  提供了一种具有优异的空穴输运性能和令人满意的电子输运性能，并显示出对电氧化/还原的优异耐久性和高三重激发能级的有机化合物，以及使用该有机化合物的电荷传输材料和有机电致发光器件。该有机化合物由以下式(I)表示：其中，Cz1和Cz2分别表示一个咔唑基团；Z表示直接键或任意连接基团，使Cz1和Cz2中的咔唑环中的氮原子共轭连接在一起；Q表示直接连接到以下式(II)中的“G”的直接键：其中，环B1表示一个具有“n”个氮原子的六元芳香杂环，n表示1至3的整数；G表示直接键或任意连接基团，当G连接到Q时；Gs连接到B1环中的氮原子的邻位和对位的碳原子；当G未连接到Q时，G表示芳香烃基团；m表示3至5的整数。
• WO2006/67976
  申请人：——

  公开号：——

  公开（公告）日：——
• US8324403B2
  申请人：——

  公开号：US8324403B2

  公开（公告）日：2012-12-04
• Development of a Formal Catalytic Asymmetric [4 + 2] Addition of Ethyl-2,3-butadienoate with Acyclic Enones
  作者：Kumar Dilip Ashtekar、Richard J. Staples、Babak Borhan

  DOI：10.1021/ol202301f

  日期：2011.11.4

  Allene esters are unique not only as excellent electrophiles but also because of their ability for subsequent reactivity after the initial nucleophilic attack. A mechanistically inspired cyclization using ethyl-2,3-butadienoate and acyclic enones to provide dihydropyrans In excellent yields and enantioselectivity under solvent-free conditions at room temperature is reported.