3-(trifluoromethyl)pentane-1,5-diol | 162220-04-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(trifluoromethyl)pentane-1,5-diol
• 英文别名: 3-trifluoromethyl-1.5-pentanediol
• CAS: 162220-04-4
• 化学式: C₆H₁₁F₃O₂
• 分子量: 172.147
• InChiKey: RLROJFITVNGKHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(trifluoromethyl)pentane-1,5-diol 在 吡啶 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 Toluene-4-sulfonic acid 5-(4'-chloro-biphenyl-4-yloxy)-3-trifluoromethyl-pentyl ester
  参考文献：
  名称：

  Design, Synthesis, and Antipicornavirus Activity of 1-[5-(4-Arylphenoxy)alkyl]-3-pyridin-4-ylimidazolidin-2-one Derivatives

  摘要：

  A series of pyridylimidazolidinone derivatives was synthesized and tested in vitro against enterovirus 71 (EV71). On the basis of compound 33 (DBPR103), introduction of a methyl group at the 2- or 3-position of the linker between the imidazolidinone and the biphenyl resulted in markedly improved antiviral activity toward EV71 with IC50 values of 5.0 nM (24b) and 9.3 nM (14a), respectively. Increasing the branched chain to propyl resulted in a progressive decrease in activity, while inserting different heteroatoms entirely rendered the compound only weakly active. The introduction of a bulky group (cyclohexyl, phenyl, or benzyl) led to loss of activity against EV71. The 4-chlorophenyl moiety in 14a was replaced with bioisosteric groups such as oxadiazole (28a-d) or tetrazole (32a,b), dramatically improving anti-EV71 activity and selectivity indices. Compounds 14a, 24b, 28b, 28d, and 32a exhibited a strong activity against lethal EV71, and no apparent cellular toxicity was observed. Three of the more potent imidazolidinone compounds, 14a, 28b, and 32b, were subjected to a large group of picornaviruses to determine their spectrum of antiviral activity.

  DOI：

  10.1021/jm050033v
• 作为产物：
  描述：

  Diethyl 3-(trifluoromethyl)glutarate 在 lithium aluminium tetrahydride 、 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 3-(trifluoromethyl)pentane-1,5-diol
  参考文献：
  名称：

  PYRIMIDOPYRROLE SPIRO COMPOUNDS AND DERIVATIVES THEREOF AS DNA-PK INHIBITORS

  摘要：

  提供了一类DNA-PK抑制剂，具体而言，是由公式（III）表示的化合物或其药学上可接受的盐，以及在制备DNA-PK抑制剂相关药物时的使用。

  公开号：

  EP4063371A1

文献信息

• A hydrogen borrowing annulation strategy for the stereocontrolled synthesis of saturated aza-heterocycles
  作者：Anna E. R. Chamberlain、Kieran J. Paterson、Roly J. Armstrong、Heather C. Twin、Timothy J. Donohoe

  DOI：10.1039/d0cc00903b

  日期：——

  A hydrogen borrowing annulation strategy enables the stereocontrolled synthesis of C2, C3 and C4-substituted saturated aza-heterocycles.

  一种氢借位缩合策略实现了C2、C3和C4取代饱和氮杂环的立体控制合成。
• N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US20150152050A1

  公开（公告）日：2015-06-04

  The present application relates to novel substituted 2-(piperidin-1-yl)acetamide derivatives, to processes for preparation thereof, to the use thereof for treatment and/or prevention of diseases, and to the use thereof for production of medicaments for treatment and/or prevention of diseases, especially for treatment and/or prevention of cardiovascular diseases.

  本申请涉及新型取代的2-(哌啶-1-基)乙酰胺衍生物，其制备方法，以及用于治疗和/或预防疾病的用途，以及用于生产用于治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防心血管疾病。
• Herbicidal thiadiazabicyclodecanes
  申请人：Novartis Corporation

  公开号：US05817602A1

  公开（公告）日：1998-10-06

  Thiadiazabicyclodecanes of formula (I) wherein, Z is oxygen or sulfur; R is an optional substituent and W is an optionally condensed or substituted phenyl radical and the salts, complexes and stereisomers thereof, have good selective pre- and post-emergence herbicidal properties. ##STR1##

  公式（I）中的噻二唑双环癸烷，其中，Z为氧或硫；R为可选取代基团，W为可选缩合或取代的苯基基团，其盐类，配合物和立体异构体具有良好的选择性前后除草特性。
• N-[3-(2-carboxyethyl)phenyl]piperidin-1-ylacetamide derivatives and use thereof as activators of soluble guanylate cyclase
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US09309198B2

  公开（公告）日：2016-04-12

  The present application relates to novel substituted 2-(piperidin-1-yl)acetamide derivatives, to processes for preparation thereof, to the use thereof for treatment and/or prevention of diseases, and to the use thereof for production of medicaments for treatment and/or prevention of diseases, especially for treatment and/or prevention of cardiovascular diseases.

  本申请涉及新型取代的2-(哌啶-1-基)乙酰胺衍生物，其制备过程，用于治疗和/或预防疾病的用途，以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病的药物。
• HERBICIDAL THIADIAZABICYCLODECANES
  申请人：Novartis AG

  公开号：EP0705267B1

  公开（公告）日：1997-08-13