3,5-dichloro benzyl triflate | 159707-15-0

• 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: 3,5-dichloro benzyl triflate
• 英文别名: (3,5-Dichlorophenyl)methyl trifluoromethanesulfonate
• CAS: 159707-15-0
• 化学式: C₈H₅Cl₂F₃O₃S
• 分子量: 309.093
• InChiKey: JSIDCTIUFBCEHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,5-dichloro benzyl triflate 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 46.0h， 生成
  参考文献：
  名称：

  [EN] COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING CORONAVIRUS DISEASE AND METHODS OF PREPARATION THEREOF
  [FR] COMPOSÉS ET COMPOSITIONS PHARMACEUTIQUES POUR LE TRAITEMENT D'UNE MALADIE À CORONAVIRUS ET LEURS PROCÉDÉS DE PRÉPARATION

  摘要：

  The present disclosure provides a series of novel compounds of the general formula (I), or salts thereof, for treatment of coronavirus disease (COVID-19): Formula (I) wherein R1is selected from F, Cl, OH, OMe; R2is selected from the group including C1-C5alkyl and C3-C5cycloalkyl. X is selected from a group including, and.

  公开号：

  WO2023238167A1
• 作为产物：
  描述：

  三氟甲磺酸酐 、 3,5-二氯苯甲醇 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 3,5-dichloro benzyl triflate
  参考文献：
  名称：

  NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE

  摘要：

  本发明涉及一种生产2-[1-(S)-羧基-2(S)-[3-(3,5-二氯苄基)-3H-咪唑-4-基]-乙基氨基]-4-甲基-戊酸的方法，以及其新型盐，包括水合物和溶剂化合物，以及其新型晶体和非晶形式。

  公开号：

  US20110319461A1

文献信息

• Substrate-Based Design of the First Class of Angiotensin-Converting Enzyme-Related Carboxypeptidase (ACE2) Inhibitors
  作者：Natalie A. Dales、Alexandra E. Gould、James A. Brown、Emily F. Calderwood、Bing Guan、Charles A. Minor、James M. Gavin、Paul Hales、Virendar K. Kaushik、Michael Stewart、Peter J. Tummino、Chad S. Vickers、Timothy D. Ocain、Michael A. Patane

  DOI：10.1021/ja0277226

  日期：2002.10.1

  Angiotensin-converting enzyme-related carboxypeptidase (ACE2) is a recently identified zinc metalloprotease with carboxypeptidase activity that was identified using our genomics platform. We implemented a rational design approach to identify potent and selective ACE2 inhibitors. To this end, picomolar inhibitors of ACE2 were designed and synthesized.
• Neuromodulation by selective angiotensin-converting enzyme 2 inhibitors
  作者：Natalia Pozdnyakova、Natalia Krisanova、Artem Pastukhov、Alla Tarasenko、Marina. Dudarenko、Anton Chernykh、Alexander Pashenko、Sergey Ryabukhin、Ganna Tolstanova、Dmitriy Volochnyuk、Tatiana Borisova

  DOI：10.1016/j.neuroscience.2022.07.003

  日期：2022.8
• [EN] NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE<br/>[FR] NOUVEAUX SELS, POLYMORPHES, ET PROCÉDÉS DE SYNTHÈSE D'UN DÉRIVÉ D'IMIDAZOLE
  申请人：ORE PHARMACEUTICALS INC

  公开号：WO2011088075A2

  公开（公告）日：2011-07-21

  The present invention relates to a process for producing 2-[1-(S)-carboxy-2(S)-[3- (3,5-dichloro-benzyl)-3H-imidazol-4-yl]-ethylamino]-4-methyl-pentanoic acid, as well as novel salts, including hydrates and solvates thereof, and novel crystalline and amorphous forms thereof.
• Deuterated Angiotensin-Converting Enzyme-2 (ACE-2) Inhibitors
  申请人：Dhanoa Daljit Singh

  公开号：US20220306646A1

  公开（公告）日：2022-09-29

  The present invention is concerned with novel deuterated Angiotensin-Converting Enzyme-2 (ACE-2) inhibitors of general structural formula I, their optically active enantiomers and diastereoisomers, and pharmaceutical salts and compositions thereof, as well as combination therapies which include compounds of the present invention, These compounds have high potency and selectivity for Angiotensin-Converting Enzyme-2 (ACE-2) inhibition, and are useful in the treatment of infectious respiratory diseases including the pandemic disease Covid-19, Severe Acute Respiratory Syndrome (SARS-CoV-2), Severe Acute Respiratory Syndrome (SARS-CoV), and other diseases caused by coronaviruses.