(4S,5R,15R,16S)-3,4,16,17-tetramethyl-5,15-diphenyl-6,14-dioxa-3,17,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone | 1158176-33-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (4S,5R,15R,16S)-3,4,16,17-tetramethyl-5,15-diphenyl-6,14-dioxa-3,17,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
• CAS: 1158176-33-0
• 化学式: C₃₅H₃₃N₃O₆
• 分子量: 591.664
• InChiKey: FVSJQCLTTASDOT-FPACPZPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  44
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N2,N6-bis((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)-N2,N6-dimethylpyridine-2,6-dicarboxamide 、 间苯二甲酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 (4S,5R,15R,16S)-3,4,16,17-tetramethyl-5,15-diphenyl-6,14-dioxa-3,17,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
  参考文献：
  名称：

  Synthesis and Structures of New C2-Symmetrical Chiral Macrocycles Containing the Ephedrine Moiety

  摘要：

  Three kinds of novel C-2-symmetrical chiral macrocyclic compounds containing an ephedrine moiety have been designed and synthesized; two of their crystal structures have been determined.

  DOI：

  10.3987/com-08-11583

文献信息

• Synthesis and Structures of New C2-Symmetrical Chiral Macrocycles Containing the Ephedrine Moiety
  作者：Ralph A. Zingaro、Yiwen Chen、Mingzhang Gao、Songde Tan、Joseph H. Reibenspies

  DOI：10.3987/com-08-11583

  日期：——

  Three kinds of novel C-2-symmetrical chiral macrocyclic compounds containing an ephedrine moiety have been designed and synthesized; two of their crystal structures have been determined.