toluene-4-sulfonic acid-(3-tert-butyl-anilide) | 101582-57-4

• 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: toluene-4-sulfonic acid-(3-tert-butyl-anilide)
• 英文别名: Toluol-4-sulfonsaeure-(3-tert-butyl-anilid)；N-(3-tert-butylphenyl)-4-methylbenzenesulfonamide
• CAS: 101582-57-4
• 化学式: C₁₇H₂₁NO₂S
• 分子量: 303.425
• InChiKey: HXAPOMBYGHDSEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  toluene-4-sulfonic acid-(3-tert-butyl-anilide) 在 硝酸 作用下， 生成 toluene-4-sulfonic acid-(5-tert-butyl-2-nitro-anilide)
  参考文献：
  名称：

  Bell et al., Journal of the Chemical Society, 1956, p. 2335,2339

  摘要：

  DOI：
• 作为产物：
  描述：

  3-叔丁基苯胺 、 对甲苯磺酰氯 生成 toluene-4-sulfonic acid-(3-tert-butyl-anilide)
  参考文献：
  名称：

  Bell et al., Journal of the Chemical Society, 1956, p. 2335,2339

  摘要：

  DOI：

文献信息

• Transition-metal-free synthesis of aromatic amines via the reaction of benzynes with isocyanates
  作者：Jeong Hoon Seo、Haye Min Ko

  DOI：10.1016/j.tetlet.2018.01.022

  日期：2018.2

  unexpected reaction between benzynes and isocyanates to generate aromatic amines has been developed under transition-metal-free conditions. The in situ prepared anions formed through cleavage of the NC bond in isocyanates, reacted with aryne precursors to afford various aniline derivatives in moderate to excellent yield and tolerated various substituents on the o-silyl aryl triflate and the isocyanate.

  在不含过渡金属的条件下，苯并炔与异氰酸酯发生意外反应生成芳族胺。在原位制备过N开裂而形成的阴离子C键中的异氰酸酯，具有芳炔前体在中等至良好的产率反应，得到各种苯胺衍生物和耐受上各种取代基ø -甲硅烷基三氟甲磺酸的芳基和异氰酸酯。
• Heterocyclic Compounds and Methods of Use
  申请人：Medivation Technologies, Inc.

  公开号：US20180028518A1

  公开（公告）日：2018-02-01

  This disclosure provides compounds and methods of using those compounds to treat liver fibrosis, including liver fibrosis which is a precursor to, is concurrent with, is associated with, or is secondary to nonalcoholic steatohepatitis (NASH); elevated cholesterol levels, and insulin resistance.

  本公开提供了化合物和使用这些化合物治疗肝纤维化的方法，包括作为非酒精性脂肪性肝炎（NASH）的前体、与NASH同时发生、与NASH相关或次生于NASH的肝纤维化的治疗方法；高胆固醇水平和胰岛素抵抗。
• ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANER DRUGS
  申请人：National Taiwan University

  公开号：US20140080848A1

  公开（公告）日：2014-03-20

  A series of mono- and di-substituted quinazoline and pyrimidine derivatives based on the skeleton of erlotinib (an EGFR inhibitor) were synthesized and their bioactivities against hepatocellular carcinoma and human lung adenocarcinoma were evaluated.

  基于厄洛替尼（一种EGFR抑制剂）骨架合成了一系列单取代和双取代的喹唑啉和嘧啶衍生物，并评估了它们对肝细胞癌和人类肺腺癌的生物活性。
• Heterocyclic compounds and methods of use
  申请人：Medivation Technologies LLC

  公开号：US10183015B2

  公开（公告）日：2019-01-22

  This disclosure provides compounds and methods of using those compounds to treat liver fibrosis, including liver fibrosis which is a precursor to, is concurrent with, is associated with, or is secondary to nonalcoholic steatohepatitis (NASH); elevated cholesterol levels, and insulin resistance.

  本公开提供了化合物和使用这些化合物治疗肝纤维化的方法，包括作为非酒精性脂肪性肝炎（NASH）前兆、与之并发、相关或继发的肝纤维化；胆固醇水平升高和胰岛素抵抗。
• ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS
  申请人：National Yang-Ming University

  公开号：US20150246891A1

  公开（公告）日：2015-09-03

  A series of mono- and di-substituted quinazoline and pyrimidine derivatives based on the skeleton of erlotinib (an EGFR inhibitor) were synthesized and their bioactivities against hepatocellular carcinoma and human lung adenocarcinoma were evaluated.