diethyl 2,2-bis(m-bromobenzyl)malonate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: diethyl 2,2-bis(m-bromobenzyl)malonate
• 英文别名: bis-(3-bromo-benzyl)-malonic acid diethyl ester；Bis-(3-brom-benzyl)-malonsaeure-diaethylester；Diethyl 2,2-bis(3-bromobenzyl)malonate；diethyl 2,2-bis[(3-bromophenyl)methyl]propanedioate
• 化学式: C₂₁H₂₂Br₂O₄
• 分子量: 498.211
• InChiKey: BCNJNPKASNAUET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diethyl 2,2-bis(m-bromobenzyl)malonate 在 Grubbs catalyst first generation 、 titanium(IV) isopropylate 、 四(三苯基膦)钯 、 5%-palladium/activated carbon 、 氢气 、 cesium fluoride 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 为溶剂， 20.0~80.0 ℃ 、101.33 kPa 条件下， 反应 61.17h， 生成 Tetraethyl pentacyclo[29.3.1.15,9.114,18.122,26]octatriaconta-1(34),5,7,9(38),14(37),15,17,22,24,26(36),31(35),32-dodecaene-3,3,20,20-tetracarboxylate
  参考文献：
  名称：

  Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki–Miyaura Cross-Coupling and Olefin Metathesis as Key Steps

  摘要：

  Palladium-catalyzed Suzuki Miyaura (SM) cross-coupling reaction with allylboronic acid pinacol ester and titanium assisted cross-metathesis (CM)/ring-closing metathesis (RCM) cascade has been used to synthesize macrocydic cydophane derivatives.

  DOI：

  10.1021/jo2020714
• 作为产物：
  描述：

  丙二酸二乙酯 、 sodium;hydride 、 3-溴苄溴 、 氯化铵 在 水 、 乙酸乙酯 、 silica gel 、 正己烷 作用下， 以 二甲基亚砜 为溶剂， 反应 2.5h， 以yielding the title compound (4c) (12.7 g, 25.5 mmol) as a white solid in a yield of 85%的产率得到diethyl 2,2-bis(m-bromobenzyl)malonate
  参考文献：
  名称：

  COMPOUND HAVING TRIMETHYLENE STRUCTURE, POLYMER COMPOUND CONTAINING UNIT THAT HAS TRIMETHYLENE STRUCTURE, AND REACTIVE COMPOUND HAVING TRIMETHYLENE STRUCTURE

  摘要：

  下面是公式1所代表的化合物。在公式1中，R1和R2中的每一个都独立地表示从由C、H和/或X（其中X表示杂原子）组成的取代基和氢原子组成的群中选择的群，而Z1和Z2中的每一个都独立地表示从由C和H组成的芳香基取代物、由C、H和X（其中X表示杂原子）组成的芳香基取代物、含有芳香环和双键和/或三键共轭结构的由C和H组成的基团以及含有芳香环和双键和/或三键共轭结构的由C、H和/或X（其中X表示杂原子）组成的基团中选择的群。

  公开号：

  US20120289674A1

文献信息

• COMPOUND HAVING TRIMETHYLENE STRUCTURE, POLYMER COMPOUND CONTAINING UNIT THAT HAS TRIMETHYLENE STRUCTURE, AND REACTIVE COMPOUND HAVING TRIMETHYLENE STRUCTURE
  申请人：Funyuu Shigeaki

  公开号：US20120289674A1

  公开（公告）日：2012-11-15

  A compound represented by a formula 1 shown below. In the formula 1, each of R1 and R2 independently represents a group selected from the group consisting of a hydrogen atom and substituents composed of C, H and/or X (wherein X represents a hetero atom), and each of Z1 and Z2 independently represents a group selected from the group consisting of aromatic substituents composed of C and H, aromatic substituents composed of C, H and X (wherein X represents a hetero atom), groups containing an aromatic ring and a double-bonded and/or triple-bonded conjugated structure composed of C and H, and groups containing an aromatic ring and a double-bonded and/or triple-bonded conjugated structure composed of C, H and/or X (wherein X represents a hetero atom).

  下面是公式1所代表的化合物。在公式1中，R1和R2中的每一个都独立地表示从由C、H和/或X（其中X表示杂原子）组成的取代基和氢原子组成的群中选择的群，而Z1和Z2中的每一个都独立地表示从由C和H组成的芳香基取代物、由C、H和X（其中X表示杂原子）组成的芳香基取代物、含有芳香环和双键和/或三键共轭结构的由C和H组成的基团以及含有芳香环和双键和/或三键共轭结构的由C、H和/或X（其中X表示杂原子）组成的基团中选择的群。
• US9051246B2
  申请人：——

  公开号：US9051246B2

  公开（公告）日：2015-06-09
• Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki–Miyaura Cross-Coupling and Olefin Metathesis as Key Steps
  作者：Sambasivarao Kotha、Arjun S. Chavan、Mobin Shaikh

  DOI：10.1021/jo2020714

  日期：2012.1.6

  Palladium-catalyzed Suzuki Miyaura (SM) cross-coupling reaction with allylboronic acid pinacol ester and titanium assisted cross-metathesis (CM)/ring-closing metathesis (RCM) cascade has been used to synthesize macrocydic cydophane derivatives.
• Compound having trimethylene structure, polymer compound containing unit that has trimethylene structure, and reactive compound having trimethylene structure
  申请人：Funyuu Shigeaki

  公开号：US09051246B2

  公开（公告）日：2015-06-09

  A compound represented by a formula 1 shown below. In the formula 1, each of R1 and R2 independently represents a group selected from the group consisting of a hydrogen atom and substituents composed of C, H and/or X (wherein X represents a hetero atom), and each of Z1 and Z2 independently represents a group selected from the group consisting of aromatic substituents composed of C and H, aromatic substituents composed of C, H and X (wherein X represents a hetero atom), groups containing an aromatic ring and a double-bonded and/or triple-bonded conjugated structure composed of C and H, and groups containing an aromatic ring and a double-bonded and/or triple-bonded conjugated structure composed of C, H and/or X (wherein X represents a hetero atom).

  下面是由式1表示的化合物。在式1中，R1和R2各自独立地表示从由C、H和/或X（其中X表示杂原子）组成的取代基和氢原子组成的群中选择的群，Z1和Z2各自独立地表示从由C和H组成的芳香基取代物、由C、H和X（其中X表示杂原子）组成的芳香基取代物、含有芳香环和由C和H组成的双键和/或三键共轭结构的群以及含有芳香环和由C、H和/或X（其中X表示杂原子）组成的双键和/或三键共轭结构的群中选择的群。