4-(1-羟乙基)苯甲酰胺 | 1175301-23-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(1-羟乙基)苯甲酰胺
• 英文名称: 1-(p-carboxamidophenyl)ethanol
• 英文别名: 4-(1-Hydroxyethyl)benzamide
• CAS: 1175301-23-1
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: NIJXHOAJAOIJJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为产物：
  描述：

  对氰基苯乙酮 在 C₁₂H₁₂MnO₄⁽¹⁺⁾*BF₄^(1-) 、 potassium tert-butylate 作用下， 以 异丙醇 为溶剂， 反应 24.0h， 以70%的产率得到4-(1-羟乙基)苯甲酰胺
  参考文献：
  名称：

  锰苯酚Pi配合物作为SHVO型酮转移加氢催化剂的设计

  摘要：

  催化加氢是学术研究和工业中最重要的反应之一。我们探索了锰pi-络合物作为Shvo型催化剂进行酮转移加氢的能力。DFT计算表明，从假设的中间体[（C 6 Me 3 H 2 OH）Mn（CO）2 H]到丙酮的氢原子转移具有较低的10.9 kcal mol -1活化势垒。在有配合物[（C 6 Me 3 H 2）的存在下，在90°C的异丙醇中，实验成功地在异丙醇中成功还原了具有各种官能团（OMe，NH 2，Cl，CF 3，吡啶基）的许多酮。OH）Mn（CO）3 ] BF 4（1摩尔％）和t BuOK（75摩尔％）。但是，进一步的调查表明，还原主要是由碱而不是锰配合物促进的。

  DOI：

  10.1002/cctc.201801797

文献信息

• Ruthenium complex based on [N,N,O] tridentate -2-ferrocenyl-2-thiazoline ligand for catalytic transfer hydrogenation
  作者：J I Badillo-Gómez、E P Sánchez-Rodríguez、R A Toscano、M Gouygou、M C Ortega-Alfaro、J G López-Cortés

  DOI：10.1016/j.jorganchem.2020.121630

  日期：2021.1

  Schiff base ligand L1 using the 2-Ferrocenyl-2-thiazoline as scaffold was developed. The 1,2-disubstituted ferrocene-based ligand was assembled using as key strategy the directed ortho-metalation (DoM) in 2-ferrocenyl-2-thiazoline. L1 was successfully obtained in 83% of overall yield after two-step synthesis. The coordination ability of L1 towards Ru(II) was evidenced and the resulting complex was characterized

  开发了一种以2-二茂铁基-2-噻唑啉为骨架合成无膦的[N，N，O]-三齿席夫碱配体L1的新方法。使用2-铁茂铁基-2-噻唑啉中的定向邻位金属化（D o M）作为关键策略组装1,2-二取代的二茂铁基配体。两步合成后，L1以总收率的83％成功获得。证明了L1对Ru（II）的配位能力，并通过IR，UV-vis和EPR表征了所得的配合物。在各种底物的转移加氢中测试了其催化性能，得到了中等至优异的转化率。
• ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS
  申请人：Baindur Nand

  公开号：US20060281772A1

  公开（公告）日：2006-12-14

  The invention is directed to alkylquinoline and alkylquinazoline compounds of Formula I: wherein R 1 , R 2 , R 3 , B, Z, G, Q and X are as defined herein, the use of such compounds as protein tyrosine kinase modulators, particularly inhibitors of FLT3 and/or c-kit and/or TrkB, the use of such compounds to reduce or inhibit kinase activity of FLT3 and/or c-kit and/or TrkB in a cell or a subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to FLT3 and/or c-kit and/or TrkB. The present invention is further directed to pharmaceutical compositions comprising the compounds of the present invention and to methods for treating conditions such as cancers and other cell proliferative disorders.

  该发明涉及Formula I的烷基喹啉和烷基喹噁啉化合物： 其中R1、R2、R3、B、Z、G、Q和X如本文所定义，所述化合物的用途为蛋白酪氨酸激酶调节剂，特别是FLT3和/或c-kit和/或TrkB的抑制剂，所述化合物的用途为在细胞或受试者中减少或抑制FLT3和/或c-kit和/或TrkB的激酶活性，以及所述化合物的用途为预防或治疗受试者的细胞增殖紊乱和/或与FLT3和/或c-kit和/或TrkB相关的紊乱。本发明还涉及包括本发明化合物的药物组合物，以及治疗癌症和其他细胞增殖紊乱等疾病的方法。
• Furo- and Thieno [3,2-c] Pyridines
  申请人：Li An-Hu

  公开号：US20090197864A1

  公开（公告）日：2009-08-06

  Furo[3,2-c]Pyridine and Thieno[3,2-c]pyridine compounds of Formula I, and pharmaceutically acceptable salts thereof, preparation, intermediates, pharmaceutical compositions, and use, such as in disease treatment, including cancers, including conditions in which EMT is involved, including conditions mediated by protein kinase activity such as RON and/or MET.

  Furo[3,2-c]吡啶和Thieno[3,2-c]吡啶的化合物I的制备、中间体、药用可接受的盐、药物组合物以及用途，例如在疾病治疗中的应用，包括癌症，包括涉及EMT的疾病，包括由蛋白激酶活性介导的疾病，如RON和/或MET。
• Novel beta-turn mimetics as calcitonin gene related peptide receptor antagonists
  申请人：Andres J. Charles

  公开号：US20050209256A1

  公开（公告）日：2005-09-22

  Conformationally constrained compounds which mimic the secondary structure of reverse-turn regions of biologically active peptides are disclosed. The compounds of the present invention of Formula I have valuable pharmacological properties based on their ability to selectively antagonize calcitonin gene-related peptide (CGRP) receptor for acute and prophylactic treatment of headaches, particularly migraines.

  本发明的Formula I的化合物具有有价值的药理特性，基于它们能够选择性地拮抗降钙素基因相关肽（CGRP）受体，用于急性和预防性治疗头痛，特别是偏头痛，这些化合物受限构象地模拟生物活性肽的反转区域的二级结构。
• Method of treating migraine headaches using calcitonin gene related peptide mimetics
  申请人：Andres J. Charles

  公开号：US20050222158A1

  公开（公告）日：2005-10-06

  Methods of treating migraine comprising conformationally constrained compounds which mimic the secondary structure of reverse-turn regions of biologically active peptides are disclosed. The compounds of the present invention of Formula I have valuable pharmacological properties based on their ability to selectively antagonize calcitonin gene-related peptide (CGRP) receptor for acute and prophylactic treatment of headaches, particularly migraines.

  本发明涉及一种治疗偏头痛的方法，其中使用构象受限化合物，其模拟生物活性肽的反转区域的二级结构。根据本发明的化合物具有的公式I，这些化合物具有有价值的药理特性，能够通过选择性拮抗钙调素基因相关肽（CGRP）受体，用于急性和预防性治疗头痛，特别是偏头痛。