2-(4-chlorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 2-(4-chlorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
• 英文别名: 2-(4-chlorophenyl)-4-(p-tolyl)-2,3-dihydrobenzo[b][1,4]thiazepine
• 化学式: C₂₂H₁₈ClNS
• 分子量: 363.911
• InChiKey: ZCKRRCTYPXGADU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  37.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-chlorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine 、 亚磷酸二乙酯 以 neat (no solvent) 为溶剂， 以90%的产率得到diethyl (2-(4-chlorophenyl)-4-(p-tolyl)-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-4-yl)phosphonate
  参考文献：
  名称：

  Synthesis, characterization, in vitro cholinesterase and hRBCs hemolysis assay and computational evaluation of novel 2,3,4,5-tetrahydrobenzothiazepine appended α-aminophosphonates

  摘要：

  DOI：

  10.1016/j.bioorg.2021.105397
• 作为产物：
  描述：

  4-氯苯甲醛 在 溶剂黄146 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 4.0h， 生成 2-(4-chlorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
  参考文献：
  名称：

  Synthesis, characterization, in vitro cholinesterase and hRBCs hemolysis assay and computational evaluation of novel 2,3,4,5-tetrahydrobenzothiazepine appended α-aminophosphonates

  摘要：

  DOI：

  10.1016/j.bioorg.2021.105397

文献信息

• Efficient and Eco-friendly Syntheses of 1,5-Benzothiazepines and 1,5-Benzodiazepines Catalyzed by [<i>Hmim</i>][NO₃] under Mild Conditions
  作者：Hossein Loghmani-Khouzani、Panteha Tamjidi、Iraj Mohammadpoor-Baltork、Marzieh Yaeghoobi、Noorsaadah Abd. Rahman、Ahmad Reza Khosropour、Majid Moghadam、Shahram Tangestaninejad、Valiolah Mirkhani、Mohammad Hossein Habibi、Ayana Kashima、Takayoshi Suzuki

  DOI：10.1002/jhet.1827

  日期：2014.1

  Crystal structures of a new thiazepine and diazepine (seven‐membered rings) have also been determined and compared with thiazine (six‐membered ring). In this method, N‐methylimidazolium nitrate [Hmim][NO3] has been used as a catalyst that acts as an environmental friendly system.

  本文介绍了1,5-苯并噻氮杂类和1,5-苯并二氮杂类衍生物的合成方法和反应机理。在这项研究中，已经用新方法制备了36种噻嗪类和二氮杂品（大多数是新的），并通过分光镜方法对其结构进行了表征。还确定了新的噻氮平和二氮杂（七元环）的晶体结构，并将其与噻嗪（六元环）进行了比较。在此方法中，硝酸N甲基咪唑鎓盐[ Hmim ] [NO 3 ]被用作催化剂，对环境无害。
• Di-cationic Ionic Liquid Catalyzed Synthesis of 1,5-Benzothiazepines
  作者：Raghavendra Sakirolla、Krishnaji Tadiparthi、Marzieh Yaeghoobi、Noorsaadah Abd. Rahman

  DOI：10.14233/ajchem.2018.20920

  日期：——

  A simple and elegant method for the synthesis of 1,5-benzothiazepines has been developed using di-cationic liquid as a solvent cum catalyst by the reaction of o-aminothiophenol with a variety of chalcones under mild reaction conditions. Furthermore the reusability of the catalyst has also been studied for three cycles. All the reactions are proposed to proceed through a 1,4-conjugate Michael addition followed by a cyclo-condensation reaction.

  一种简单优雅的方法已被开发用于合成1,5-苯并噻嗪，采用双阳离子液体作为溶剂和催化剂，通过在温和反应条件下使邻氨基硫醇与多种查尔酮反应。此外，还研究了催化剂的重复使用性，进行了三轮实验。所有反应被提出是通过1,4-共轭迈克尔加成反应，然后进行环状缩合反应。
• Ionic Liquid-Assisted Preparation of Co3O4 Nanosheets as a New and Efficient Catalyst for Green Synthesis of Various 1,5-Benothiazepine Derivatives in Water
  作者：M. Darband、E. Tahanpesar、H. Sanaeishoar、R. Badri

  DOI：10.1134/s1070427221120089

  日期：2021.12
• PHENYLTHIOPHENYLDIHYDROBENZOTHIAZEPINE INHIBITORS OF STORE OPERATED CALCIUM RELEASE
  申请人：Whitten Jeffrey P.

  公开号：US20110269743A1

  公开（公告）日：2011-11-03

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases, disorders or conditions that would benefit from inhibition of SOC channel activity.
• [EN] PHENYLTHIOPHENYLDIHYDROBENZOTHIAZEPINE INHIBITORS OF STORE OPERATED CALCIUM RELEASE<br/>[FR] INHIBITEURS PHÉNYLTHIOPHÉNYLDIHYDROBENZOTHIAZÉPINE DE LIBÉRATION DE CALCIUM CAPACITIF
  申请人：CALCIMEDICA INC

  公开号：WO2010034011A9

  公开（公告）日：2010-09-30

  [EN] Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases, disorders or conditions that would benefit from inhibition of SOC channel activity.
  [FR] L'invention concerne des composés, et des compositions pharmaceutiques contenant de tels composés, qui modulent l'activité de canaux calciques capacitifs (SOC). L'invention concerne également des procédés pour utiliser de tels modulateurs de canal SOC, seuls ou en combinaison avec d'autres composés, pour traiter des maladies, des troubles ou des états qui bénéficieraient d'une inhibition de l'activité de canal SOC.