2-(3-甲基异噁唑-5-基)乙醇 | 218784-65-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(3-甲基异噁唑-5-基)乙醇
• 英文名称: 2-(3-methylisoxazol-5-yl)ethanol
• 英文别名: 2-(3-methyl-1,2-oxazol-5-yl)ethanol
• CAS: 218784-65-7
• 化学式: C₆H₉NO₂
• 分子量: 127.143
• InChiKey: CSLLGOLBQFQBMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  244.4±25.0 °C(Predicted)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-甲基异噁唑-5-基)乙醇 在 caesium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 3,7-dimethyl-1-(2-(3-methylisoxazol-5-yl)ethyl)-1H-purine-2,6(3H,7H)-dione
  参考文献：
  名称：

  HYDROXYL PURINE COMPOUNDS AND USE THEREOF

  摘要：

  公开号：

  EP3299371B1
• 作为产物：
  描述：

  3,5-二甲基异唑 在 lithium aluminium tetrahydride 、 正丁基锂 、 硫酸 作用下， 以 四氢呋喃 、 正己烷 为溶剂， -78.0~20.0 ℃ 、101.33 kPa 条件下， 反应 5.0h， 生成 2-(3-甲基异噁唑-5-基)乙醇
  参考文献：
  名称：

  HYDROXYL PURINE COMPOUNDS AND USE THEREOF

  摘要：

  公开号：

  EP3299371B1

文献信息

• Hydroxyl purine compounds and use thereof
  申请人：GUANGDONG RAYNOVENT BIOTECH CO., LTD.

  公开号：US10278973B2

  公开（公告）日：2019-05-07

  Disclosed are a series of hydroxyl purine compounds and the use thereof as PDE2 or TNFα inhibitors, in particular, the compounds as shown in formula (I), or tautomers thereof or pharmaceutically acceptable salts thereof.

  公开了一系列羟基嘌呤化合物及其作为 PDE2 或 TNFα 抑制剂的用途，特别是如式 (I) 所示的化合物或其同系物或其药学上可接受的盐。
• [EN] HYDROXYL PURINE COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS D'HYDROXYLE ET PURINE ET LEUR UTILISATION<br/>[ZH] 羟基嘌呤类化合物及其应用
  申请人：MEDSHINE DISCOVERY INC

  公开号：WO2016184312A1

  公开（公告）日：2016-11-24

  本发明公开了一系列羟基嘌呤类化合物及其作为PDE2或TNFα抑制剂的应用，具体公开了式(Ⅰ)所示化合物、其互变异构体或其药学上可接受的盐。
• Synthesis of new compounds with promising antiviral properties against group A and B Human Rhinoviruses
  作者：Angela M. Bernard、Maria G. Cabiddu、Stefania De Montis、Roberto Mura、Raffaello Pompei

  DOI：10.1016/j.bmc.2014.05.066

  日期：2014.8

  The human common cold, which is a benign disease caused by the Rhinoviruses, generally receives palliative symptomatic treatments, since no specific therapy against any of these viruses currently exists. In this work, some original synthetic compounds were produced and tested, in order to find non-toxic substances with an improved protection index (PI) for infected cells, as compared to reference drugs such as Pirodavir. We designed a series of novel molecules with a double oxygen in the central hydrocarbon chain and some modifications of the lateral methylisoxazole and propoxybenzoate moieties of lead compound 6602 (ethyl 4-3-[2-(3-methyl-1,2-isoxazol-5-yl)ethoxy]propoxy)benzoate). It was found that most of these substances were actually less toxic than Pirodavir; in addition, the new molecule indicated as 8c was more than 30 times less toxic than Pirodavir, about twice as active on the group A strain of Rhinovirus HRV14, and even four times more effective on the group B strain HRV39, as compared to Pirodavir's PI. (C) 2014 Elsevier Ltd. All rights reserved.
• Efficient route to 2H-1,3-oxazines through ring expansion of isoxazoles by rhodium carbenoids
  作者：James R. Manning、Huw M.L. Davies

  DOI：10.1016/j.tet.2008.03.010

  日期：2008.7

  Studies related to the total synthesis of elisabethin C led to the discovery of a rhodiurn-catalyzed cascade sequence involving isoxazole ring expansion and a [4+3] cycloaddition. The scope of the isoxazole ring expansion was explored, resulting in the synthesis of a range of 2H-1,3-oxazines in 47-96% yield. (C) 2008 Elsevier Ltd. All rights reserved.
• COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF
  申请人：COMENTIS, INC.

  公开号：EP1871739A1

  公开（公告）日：2008-01-02