1-(2,2-二溴乙烯基)-2-[2-(2,2-二溴乙烯基)-6-甲基苯基]-3-甲基苯 | 403618-83-7

• 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-(2,2-二溴乙烯基)-2-[2-(2,2-二溴乙烯基)-6-甲基苯基]-3-甲基苯
• 英文名称: (RS)-2,2'-bis(2,2-dibromoethenyl)-6,6'-dimethylbiphenyl
• 英文别名: 2,2'-Bis(2,2-dibromoethenyl)-6,6'-dimethyl-1,1'-biphenyl；1-(2,2-dibromoethenyl)-2-[2-(2,2-dibromoethenyl)-6-methylphenyl]-3-methylbenzene
• CAS: 403618-83-7；403652-28-8
• 化学式: C₁₈H₁₄Br₄
• 分子量: 549.925
• InChiKey: IOBDHOQSBPXPHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(2,2-二溴乙烯基)-2-[2-(2,2-二溴乙烯基)-6-甲基苯基]-3-甲基苯 在 正丁基锂 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Helix-forming self-assembly of enantiopure 2,2′-dimethylbiphenyl-6,6′-dipropiolic acid and amide organized by hydrogen bonds

  摘要：

  Single-crystal X-ray diffraction revealed that the molecules of both the title compounds (S)-5 and (S)-6 are linked, via double hydrogen bonds, in infinite chains which follow the crystallographic symmetry of the three- and four-fold screw axis, respectively. To our knowledge this represents the first documented case when intermolecular carboxylic hydrogen bond constitutes an integral part of a helix backbone set up from repeating homochiral Subunits. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00389-5
• 作为产物：
  描述：

  四溴化碳 、 2-(2-甲酰基-6-甲基苯基)-3-甲基苯甲醛 在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以95%的产率得到1-(2,2-二溴乙烯基)-2-[2-(2,2-二溴乙烯基)-6-甲基苯基]-3-甲基苯
  参考文献：
  名称：

  Helix-forming self-assembly of enantiopure 2,2′-dimethylbiphenyl-6,6′-dipropiolic acid and amide organized by hydrogen bonds

  摘要：

  Single-crystal X-ray diffraction revealed that the molecules of both the title compounds (S)-5 and (S)-6 are linked, via double hydrogen bonds, in infinite chains which follow the crystallographic symmetry of the three- and four-fold screw axis, respectively. To our knowledge this represents the first documented case when intermolecular carboxylic hydrogen bond constitutes an integral part of a helix backbone set up from repeating homochiral Subunits. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00389-5

文献信息

• Helix-forming self-assembly of enantiopure 2,2′-dimethylbiphenyl-6,6′-dipropiolic acid and amide organized by hydrogen bonds
  作者：Miloš Tichý、Petr Holý、Jiřı́ Závada、Ivana Cı́sařová、Jaroslav Podlaha

  DOI：10.1016/s0957-4166(01)00389-5

  日期：2001.9

  Single-crystal X-ray diffraction revealed that the molecules of both the title compounds (S)-5 and (S)-6 are linked, via double hydrogen bonds, in infinite chains which follow the crystallographic symmetry of the three- and four-fold screw axis, respectively. To our knowledge this represents the first documented case when intermolecular carboxylic hydrogen bond constitutes an integral part of a helix backbone set up from repeating homochiral Subunits. (C) 2001 Elsevier Science Ltd. All rights reserved.