11-Bromo-7,18-bis(2-ethylhexyl)-14,22-bis(2-methoxyethoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13,15,20,23,25-decaene-6,8,17,19-tetrone | 1449330-83-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 11-Bromo-7,18-bis(2-ethylhexyl)-14,22-bis(2-methoxyethoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13,15,20,23,25-decaene-6,8,17,19-tetrone
• 英文别名: 11-bromo-7,18-bis(2-ethylhexyl)-14,22-bis(2-methoxyethoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13,15,20,23,25-decaene-6,8,17,19-tetrone
• CAS: 1449330-83-9
• 化学式: C₄₆H₅₃BrN₂O₈
• 分子量: 841.839
• InChiKey: SZGSFDZMGDLCPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  57
• 可旋转键数：
  20
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  乙二醇甲醚 、 5-bromo-2,9-bis(2-ethylhexyl)-anthra [2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone 在 溴 、 sodium hydride 作用下， 以 二氯甲烷 、 四氢呋喃 、 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 为溶剂， 反应 2.0h， 以63.3 mg的产率得到11,26-Dibromo-7,18-bis(2-ethylhexyl)-14,22-bis(2-methoxyethoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  Orientation of bromination in bay-region of perylene diimides

  摘要：

  We found that the entering position of the bromination in the bay-region (e.g., 1,6,7,12-positions) was precisely determined by the orientation director(s), either individually or cooperatively. In particular, a combination of two directors shows precisely positioning for the third entering bromo with an effect of '1+1>2'. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.07.035

文献信息

• Orientation of bromination in bay-region of perylene diimides
  作者：Xin Zhang、Chuanlang Zhan、Xinliang Zhang、Jiannian Yao

  DOI：10.1016/j.tet.2013.07.035

  日期：2013.9

  We found that the entering position of the bromination in the bay-region (e.g., 1,6,7,12-positions) was precisely determined by the orientation director(s), either individually or cooperatively. In particular, a combination of two directors shows precisely positioning for the third entering bromo with an effect of '1+1>2'. (C) 2013 Elsevier Ltd. All rights reserved.