[benzyl 20-cyano-1,3,18,19,20,24-hexahydro-8,9,13,14,19,19,20-heptamethyl-22H-thieno[3,4-b]biline-4-carboxylate 2,2-dioxidato(2-)-κN21,κN22,.kaapa.N23,κN24]zinc(II) | 262611-70-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [benzyl 20-cyano-1,3,18,19,20,24-hexahydro-8,9,13,14,19,19,20-heptamethyl-22H-thieno[3,4-b]biline-4-carboxylate 2,2-dioxidato(2-)-κN21,κN22,.kaapa.N23,κN24]zinc(II)
• CAS: 262611-70-1
• 化学式: C₃₇H₃₇N₅O₄SZn
• 分子量: 713.188
• InChiKey: QMRYGJOORRHNIO-JFRIYMKVSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [benzyl 20-cyano-1,3,18,19,20,24-hexahydro-8,9,13,14,19,19,20-heptamethyl-22H-thieno[3,4-b]biline-4-carboxylate 2,2-dioxidato(2-)-κN21,κN22,.kaapa.N23,κN24]zinc(II) 、 足球烯 以 further solvent(s) 为溶剂， 以31.9%的产率得到[1,4,8,9-tetrahydro-8,8,13,14,18,19-hexamethyl-23H,25H-[5,6]fullereno-C60-Ih-[1',9':2,3]benzo[b]porphinato(2-)-κN23,κN24,κN25,κN26]zinc(II)
  参考文献：
  名称：

  Synthese von Sulfolenobilinen und deren Cyclisierung zu Chlorinatozink-Fulleren-Dyaden

  摘要：

  A novel chlorinatozinc-fullerene dyad 18 was synthesized to model the photosynthetic reaction center. The synthetic key step for the formation of the dyad 18 is an unusual one-pot reaction of the (sulfolenobilinato) nickel rac-16a,b with concomitant generation of the chlorin macrocycle and linkage to the [5,6]fullerene-C-60-I-h. This one-pot reaction is a complex cascade of single reaction steps with a total yield of 32% and an average yield of 83% for the individual steps. The chlorinatozinc-fullerene dyad is so far one of three examples that contain chlorin moieties, the chromophores in naturally occurring photosynthetic systems.

  DOI：

  10.1002/1522-2675(20000906)83:9<2231::aid-hlca2231>3.0.co;2-s
• 作为产物：
  描述：

  benzyl 20-cyano-1,3,18,19,20,24-hexahydro-8,9,13,14,19,19,20-heptamethyl-22H-thieno[3,4-b]biline-4-carboxylate 2,2-dioxide 、 zinc diacetate 在 sodium acetate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 [benzyl 20-cyano-1,3,18,19,20,24-hexahydro-8,9,13,14,19,19,20-heptamethyl-22H-thieno[3,4-b]biline-4-carboxylate 2,2-dioxidato(2-)-κN21,κN22,.kaapa.N23,κN24]zinc(II)
  参考文献：
  名称：

  Synthese von Sulfolenobilinen und deren Cyclisierung zu Chlorinatozink-Fulleren-Dyaden

  摘要：

  A novel chlorinatozinc-fullerene dyad 18 was synthesized to model the photosynthetic reaction center. The synthetic key step for the formation of the dyad 18 is an unusual one-pot reaction of the (sulfolenobilinato) nickel rac-16a,b with concomitant generation of the chlorin macrocycle and linkage to the [5,6]fullerene-C-60-I-h. This one-pot reaction is a complex cascade of single reaction steps with a total yield of 32% and an average yield of 83% for the individual steps. The chlorinatozinc-fullerene dyad is so far one of three examples that contain chlorin moieties, the chromophores in naturally occurring photosynthetic systems.

  DOI：

  10.1002/1522-2675(20000906)83:9<2231::aid-hlca2231>3.0.co;2-s