Malonic acid 6-(2-ethoxycarbonyl-acetoxymethyl)-9-octyl-9H-carbazol-3-ylmethyl ester ethyl ester | 748770-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Malonic acid 6-(2-ethoxycarbonyl-acetoxymethyl)-9-octyl-9H-carbazol-3-ylmethyl ester ethyl ester
• 英文别名: 3-O-[[6-[(3-ethoxy-3-oxopropanoyl)oxymethyl]-9-octylcarbazol-3-yl]methyl] 1-O-ethyl propanedioate
• CAS: 748770-11-8
• 化学式: C₃₂H₄₁NO₈
• 分子量: 567.679
• InChiKey: GGMKYFSGAORDFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  41
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  足球烯 、 Malonic acid 6-(2-ethoxycarbonyl-acetoxymethyl)-9-octyl-9H-carbazol-3-ylmethyl ester ethyl ester 在 碘 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以19%的产率得到
  参考文献：
  名称：

  Synthesis of [60]Fullerene Adducts Bearing Carbazole Moieties by Bingel Reaction and Their Properties

  摘要：

  Carbazole-linked [60]fullerene adducts were successfully prepared by the Bingel reactions using carbazole derivatives bearing one or two ethyl malonate moieties. In the latter cases, specific bisadduct regioisomers were obtained, depending on the spacer unit between two ethyl malonate moieties.

  DOI：

  10.1021/ol048952n
• 作为产物：
  描述：

  9-octyl-9H-carbazole-3,6-dicarbaldehyde 在 吡啶 、 sodium tetrahydroborate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 Malonic acid 6-(2-ethoxycarbonyl-acetoxymethyl)-9-octyl-9H-carbazol-3-ylmethyl ester ethyl ester
  参考文献：
  名称：

  Synthesis of [60]Fullerene Adducts Bearing Carbazole Moieties by Bingel Reaction and Their Properties

  摘要：

  Carbazole-linked [60]fullerene adducts were successfully prepared by the Bingel reactions using carbazole derivatives bearing one or two ethyl malonate moieties. In the latter cases, specific bisadduct regioisomers were obtained, depending on the spacer unit between two ethyl malonate moieties.

  DOI：

  10.1021/ol048952n

文献信息

• Synthesis of [60]Fullerene Adducts Bearing Carbazole Moieties by Bingel Reaction and Their Properties
  作者：Yosuke Nakamura、Masato Suzuki、Yumi Imai、Jun Nishimura

  DOI：10.1021/ol048952n

  日期：2004.8.1

  Carbazole-linked [60]fullerene adducts were successfully prepared by the Bingel reactions using carbazole derivatives bearing one or two ethyl malonate moieties. In the latter cases, specific bisadduct regioisomers were obtained, depending on the spacer unit between two ethyl malonate moieties.