1,4,7-trihydrocyclononano[2,3-b:5,6-b:8,9-b]tri-1-methylindole | 29670-67-5

• 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: 1,4,7-trihydrocyclononano[2,3-b:5,6-b:8,9-b]tri-1-methylindole
• 英文别名: 5,11,17-trimethyl-5,6,11,12,17,18-hexahydrocyclonona[1,2-b:4,5-b':7,8-b'']triindole；10,20,30-Trimethyl-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4,6,8,13(21),14,16,18,24,26,28-dodecaene；10,20,30-trimethyl-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4,6,8,13(21),14,16,18,24,26,28-dodecaene
• CAS: 29670-67-5
• 化学式: C₃₀H₂₇N₃
• 分子量: 429.564
• InChiKey: COIFDHYUHGCFKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  14.8
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  (1-甲基-1H-吲哚-2-基)-甲醇 在 对甲苯磺酸一水合物 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以0.12 g的产率得到1,4,7-trihydrocyclononano[2,3-b:5,6-b:8,9-b]tri-1-methylindole
  参考文献：
  名称：

  Synthesis of indolocyclotriveratrylenes

  摘要：

  Indolocyclotriveratrylenes linked through C2 and C3 can be prepared by acid-catalysed reactions of indole-2- or -3-methanols. The initial example, compound 1 has been confirmed, and an X-ray crystal structure is reported. Seven new examples of indolocyclotriveratrylenes, namely 7, 9, 11, 13,17, 28 and 29 are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.092

文献信息

• Investigating 3,3-diaryloxetanes as potential bioisosteres through matched molecular pair analysis
  作者：Maryne A. J. Dubois、Rosemary A. Croft、Yujie Ding、Chulho Choi、Dafydd R. Owen、James A. Bull、James J. Mousseau

  DOI：10.1039/d1md00248a

  日期：——

  Oxetanes have received increasing interest in medicinal chemistry as attractive polar and low molecular weight motifs. The application of oxetanes as replacements for methylene, methyl, gem-dimethyl and carbonyl groups has been demonstrated to often improve chemical properties of target molecules for drug discovery purposes. The investigation of the properties of 3,3-diaryloxetanes, particularly of

  氧杂环丁烷作为有吸引力的极性和低分子量基序在药物化学领域受到越来越多的关注。氧杂环丁烷作为亚甲基、甲基、偕二甲基和羰基的替代物的应用已被证明通常可以改善用于药物发现目的的目标分子的化学性质。对 3,3-二芳基氧杂环丁烷性质的研究，特别是作为二苯甲酮替代品，在很大程度上仍未得到探索。随着最近在获取该基序方面取得的合成进展，我们研究了 3,3-二芳基氧杂环丁烷对“类药物”分子的物理化学性质的影响。在这里，我们描述了我们在设计和合成一系列用于匹配分子对分析的类药物化合物方面所做的努力，以研究 3,3-二芳基氧杂环丁烷基序作为药物发现中的替代基团的可行性。我们得出的结论是，二芳基氧杂环丁烷和酮的性质相似，并且通常优于相关的烷基连接体，并且二芳基氧杂环丁烷提供了潜在有用的新设计元素。
• 10.1021/jacs.4c04097
  作者：Li, Sha、Nakahara, Shoko、Adachi, Taishin、Murata, Takumi、Takaishi, Kazuto、Ema, Tadashi

  DOI：10.1021/jacs.4c04097

  日期：——

  The catalytic reactions of indoles with CO2 and phenylsilane afforded indolo[3,2-b]carbazoles, where the fused benzene ring was constructed by forming two C–H bonds and four C–C bonds with two CO2 molecules via deoxygenative conversions. Nine-membered cyclophanes made up of three indoles and three CO2 molecules were also obtained, where the cyclophane framework was constructed by forming six C–H bonds

  吲哚与CO 2和苯基硅烷的催化反应得到吲哚并[3,2- b ]咔唑，其中稠合苯环是通过脱氧转化与两个CO 2分子形成两个C-H键和四个C-C键而构建的。还获得了由三个吲哚和三个CO 2分子组成的九元环烷，其中环烷骨架是通过形成六个C-H键和六个C-C键构建的。这些产生完全不同碳环的多组分级联反应只需选择溶剂乙腈或乙酸乙酯即可进行切换。
• Synthesis of indolocyclotriveratrylenes
  作者：Mardi Santoso、Kittiya Somphol、Naresh Kumar、David StC. Black

  DOI：10.1016/j.tet.2009.05.092

  日期：2009.8

  Indolocyclotriveratrylenes linked through C2 and C3 can be prepared by acid-catalysed reactions of indole-2- or -3-methanols. The initial example, compound 1 has been confirmed, and an X-ray crystal structure is reported. Seven new examples of indolocyclotriveratrylenes, namely 7, 9, 11, 13,17, 28 and 29 are described. (C) 2009 Elsevier Ltd. All rights reserved.