1-(4-ethylbenzyl)-1H-indole | 875110-87-5

• 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-ethylbenzyl)-1H-indole
• 英文别名: 1-[(4-ethylphenyl)methyl]indole
• CAS: 875110-87-5
• 化学式: C₁₇H₁₇N
• 分子量: 235.329
• InChiKey: OTHFLEXCWVCKKX-UHFFFAOYSA-N

物化性质

• 熔点：
  40-42 °C
• 沸点：
  401.2±24.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(4-ethylbenzyl)-1H-indole 在 溴 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以63%的产率得到3-bromo-1-(4-ethylbenzyl)-1H-indole
  参考文献：
  名称：

  EP1783110

  摘要：

  公开号：
• 作为产物：
  描述：

  4-乙基苄氯 在 氢氧化钾 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 2.0h， 以47%的产率得到1-(4-ethylbenzyl)-1H-indole
  参考文献：
  名称：

  EP1783110

  摘要：

  公开号：

文献信息

• Redox Isomerization via Azomethine Ylide Intermediates: <i>N</i>-Alkyl Indoles from Indolines and Aldehydes
  作者：Indubhusan Deb、Deepankar Das、Daniel Seidel

  DOI：10.1021/ol1031359

  日期：2011.2.18

  Indolines react with aromatic and heteroaromatic aldehydes to yield N-alkyl indoles in a benzoic acid catalyzed redox isomerization reaction. Azomethine ylides are intermediates in this process which was established by intramolecular [3 + 2] trapping experiments.

  二氢吲哚在苯甲酸催化的氧化还原异构化反应中与芳族和杂芳族醛反应生成N-烷基吲哚。甲亚甲胺基化物是该过程的中间体，该过程是通过分子内[3 + 2]捕获实验建立的。
• Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes
  申请人：Matsuoka Hiroharu

  公开号：US20080318874A1

  公开（公告）日：2008-12-25

  A cyclohexane derivative having the function of reducing a blood sugar level and having preferable properties required of medicines, such as long-lasting drug activity, metabolic stability, and safety; and a medicinal composition for use in the prevention or treatment of diseases attributable to hyperglycemia, such as diabetes, e.g., insulin dependent diabetes mellitus (type 1 diabetes) or noninsulin-dependent diabetes mellitus (type 2 diabetes), complications of diabetes, and obesity. The derivative is a compound represented by the formula (I): (wherein A is —O—, —CH 2 —, or —NH—; n is an integer selected between 0 and 1; R 6 and R 7 each independently is hydrogen or C 1-6 alkyl; m is an integer selected among 1-3; Q is selected among the following formulae Q 1 to Q 5 ; Ar 1 is optionally substituted arylene or optionally substituted heteroarylene, provided that the heteroarylene may be bonded to an aromatic carbocycle or aromatic heterocycle to form a fused ring; and Ar 2 is optionally substituted aryl or optionally substituted heteroaryl), a prodrug of the compound, or a pharmaceutically acceptable salt of either. Also provided are a medicine, a medicinal composition, or the like each containing the compound.

  一种环己烷衍生物，具有降低血糖水平的功能，并具有药物所需的优良特性，如持久的药物活性、代谢稳定性和安全性；以及用于预防或治疗与高血糖相关的疾病，如糖尿病，例如胰岛素依赖性糖尿病（1型糖尿病）或非胰岛素依赖性糖尿病（2型糖尿病），糖尿病并发症和肥胖症的药物组合物。该衍生物是由式（I）表示的化合物：（其中A是-O-、-CH2-或-NH-；n是在0和1之间选择的整数；R6和R7各自独立地是氢或C1-6烷基；m是在1-3之间选择的整数；Q在以下式Q1至Q5之间选择；Ar1是可选的取代芳基或可选的取代杂环芳基，但杂环芳基可以与芳香环或芳香杂环结合形成融合环；Ar2是可选的取代芳基或可选的取代杂环芳基），该化合物的前药物或任一药物学上可接受的盐。还提供了含有该化合物的药物、药物组合物等。
• Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US08048897B2

  公开（公告）日：2011-11-01

  A cyclohexane derivative having the function of reducing a blood sugar level and having preferable properties required of medicines, such as long-lasting drug activity, metabolic stability, and safety; and a medicinal composition for use in the prevention or treatment of diseases attributable to hyperglycemia, such as diabetes, e.g., insulin dependent diabetes mellitus (type 1 diabetes) or noninsulin-dependent diabetes mellitus (type 2 diabetes), complications of diabetes, and obesity. The derivative is a compound represented by the formula (I): (wherein A is —O—, —CH2—, or —NH—; n is an integer selected between 0 and 1; R6 and R7 each independently is hydrogen or C1-6 alkyl; m is an integer selected among 1-3; Q is selected among the following formulae Q1 to Q5; Ar1 is optionally substituted arylene or optionally substituted heteroarylene, provided that the heteroarylene may be bonded to an aromatic carbocycle or aromatic heterocycle to form a fused ring; and Ar2 is optionally substituted aryl or optionally substituted heteroaryl), a prodrug of the compound, or a pharmaceutically acceptable salt of either. Also provided are a medicine, a medicinal composition, or the like each containing the compound.

  一种环己烷衍生物，具有降低血糖水平和药物所需的良好特性，如持久的药物活性，代谢稳定性和安全性；以及用于预防或治疗由高血糖引起的疾病，如糖尿病，例如胰岛素依赖性糖尿病（1型糖尿病）或非胰岛素依赖性糖尿病（2型糖尿病），糖尿病并发症和肥胖症的药物组合物。该衍生物是由式（I）表示的化合物：（其中A是—O—，—CH2—或—NH—；n是在0和1之间选定的整数；R6和R7各自独立地是氢或C1-6烷基；m是在1-3之间选定的整数；Q在以下公式Q1至Q5之间选定；Ar1是可选择取代的芳基或可选择取代的杂芳基，前提是杂芳基可以与芳香碳环或芳香杂环结合形成融合环；Ar2是可选择取代的芳基或可选择取代的杂芳基），该化合物的前药物或任一的药学上可接受的盐。还提供了一种药物，药物组合物或包含该化合物的类似物。
• NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1783110A1

  公开（公告）日：2007-05-09

  A cyclohexane derivative having the function of reducing a blood sugar level and having preferable properties required of medicines, such as long-lasting drug activity, metabolic stability, and safety; and a medicinal composition for use in the prevention or treatment of diseases attributable to hyperglycemia, such as diabetes, e.g., insulin dependent diabetes mellitus (type 1 diabetes) or noninsulin-dependent diabetes mellitus (type 2 diabetes), complications of diabetes, and obesity. The derivative is a compound represented by the formula (I): (wherein A is -O-, -CH2-, or -NH-; n is an integer selected between 0 and 1; R6 and R7 each independently is hydrogen or C1-6 alkyl; m is an integer selected among 1-3; Q is selected among the following formulae Q1 to Q5; Ar1 is optionally substituted arylene or optionally substituted heteroarylene, provided that the heteroarylene may be bonded to an aromatic carbocycle or aromatic heterocycle to form a fused ring; and Ar2 is optionally substituted aryl or optionally substituted heteroaryl), a prodrug of the compound, or a pharmaceutically acceptable salt of either. Also provided are a medicine, a medicinal composition, or the like each containing the compound.

  一种环己烷衍生物，具有降低血糖水平的功能，并具有药物所需的优越性能，如持久的药物活性、代谢稳定性和安全性；以及一种药物组合物，用于预防或治疗由高血糖引起的疾病，如糖尿病，如胰岛素依赖型糖尿病（1型糖尿病）或非胰岛素依赖型糖尿病（2型糖尿病）、糖尿病并发症和肥胖症。衍生物是由式（I）代表的化合物： (其中 A 是-O-、-CH2-或-NH-；n 是选自 0 和 1 之间的整数；R6 和 R7 各自独立地是氢或 C1-6 烷基；m 是选自 1-3 之间的整数；Q 是选自下式 Q1 至 Q5 之间的整数； Ar1是任选取代的芳基或任选取代的杂芳基，条件是杂芳基可以键合到芳香族碳环或芳香族杂环上以形成融合环；以及Ar2是任选取代的芳基或任选取代的杂芳基）、该化合物的原药或二者的药学上可接受的盐。还提供了含有该化合物的药物、药物组合物或类似物。
• [EN] SYNTHETIC METHOD FOR ASYMMETRICAL THIOETHER<br/>[FR] PROCÉDÉ DE SYNTHÈSE DE THIOÉTHER ASYMÉTRIQUE<br/>[ZH] 一种非对称硫醚的合成方法
  申请人：UNIV SOOCHOW

  公开号：WO2017215110A1

  公开（公告）日：2017-12-21

  提供一种非对称硫醚的合成方法。该方法包括以下步骤 a)、在四丁基卤化铵催化条件下，式(I)结构化合物、式(II)结构化合物和硫氧盐在溶剂中进行反应，得到具有式(III)结构的非对称硫醚；其中，R 1选自苯基、取代苯基、萘基、取代萘基、噻吩基或取代噻吩基，R 2选自氢、苯基、取代苯基、萘基、取代萘基、噻吩基或取代噻吩基；或 R 1、R 2与其所连接的C形成芴环或噻吨环；R 3选自氢或烷基；R 4选自氢、苯基、取代苯基、萘基、取代萘基、噻吩基或取代噻吩基，R 5选自氢；或 R 4、R 5与其所连接的 C 形成芴环或噻吨环；R 6选自烷基或取代烷基；X选自 Cl、Br或 I。