2-苯并噁唑羧酸乙酯 | 49559-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: 2-苯并噁唑羧酸乙酯
• 中文别名: 5-甲氧基苯并[D]噁唑-2-甲酸甲酯；5-甲氧基-苯并恶唑-2-羧酸甲酯
• 英文名称: methyl 5-methoxybenzoxazole-2-carboxylate
• 英文别名: methyl 5-methoxybenzo[d]oxazole-2-carboxylate；5-Methoxybenzoxazol-2-carbonsaeure-methylester；5-methoxy-benzooxazole-2-carboxylic acid methyl ester；methyl 5-methoxy-1,3-benzoxazole-2-carboxylate
• CAS: 49559-57-1
• 化学式: C₁₀H₉NO₄
• 分子量: 207.186
• InChiKey: MGZDRAKFWQDAIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-苯并噁唑羧酸乙酯 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 5-甲氧基-2-苯并恶唑羧酸
  参考文献：
  名称：

  PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS

  摘要：

  Provided are compounds of Formula I, Formula Ia and Formula Ib and the pharmaceutically acceptable salts, esters, and prodrugs thereof, which are DGAT2 inhibitors. Also provided are methods of making compounds of Formula I, Formula Ia and Formula Ib, pharmaceutical compositions comprising compounds of Formula I, Formula Ia and Formula Ib, and methods of using these compounds to treat hepatic steatosis, nonalcoholic steatohepatitis (NASH), hepatic fibrosis, type-2 diabetes mellitus, obesity, hyperlipidemia, hypercholesterolemia, atherosclerosis, cognitive decline, dementia, cardiorenal diseases such as chronic kidney diseases and heart failure and related diseases and conditions, comprising administering a compound of Formula I, Ia and Ib and the pharmaceutically acceptable salts, esters, and prodrugs thereof, to a patient in need thereof.

  公开号：

  WO2024118858A1
• 作为产物：
  描述：

  5-甲氧基苯并[D]恶唑 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 2-苯并噁唑羧酸乙酯
  参考文献：
  名称：

  羧酸盐作为羧基化和碳同位素标记的双功能试剂

  摘要：

  三苯乙酸的钾盐被开发为 CO 2和碱/金属化剂的组合来源。该方法无需专用设备，可用于一系列化合物类别的羧化。这提供了一种机械上不同的羧化方法，该方法也已应用于碳同位素标记。

  DOI：

  10.1002/anie.202218371

文献信息

• Musser, J. H.; Hudec, T. T.; Bailey, K., Synthetic Communications, 1984, vol. 14, # 10, p. 947 - 954
  作者：Musser, J. H.、Hudec, T. T.、Bailey, K.

  DOI：——

  日期：——
• MUSSER, J. H.;HUDELL, T. T.;BAILEY, K., SYNTH. COMMUN., 1984, 14, N 10, 947-953
  作者：MUSSER, J. H.、HUDELL, T. T.、BAILEY, K.

  DOI：——

  日期：——
• Carboxylic Acid Salts as Dual‐Function Reagents for Carboxylation and Carbon Isotope Labeling
  作者：Shuo Wang、Igor Larrosa、Hideki Yorimitsu、Gregory J. P. Perry

  DOI：10.1002/anie.202218371

  日期：2023.3.27

  The potassium salt of triphenylacetic acid is developed as a combined source of CO2 and base/metalating agent. This method avoids specialized equipment and is used in the carboxylation of a range of compound classes. This provides a mechanistically distinct approach to carboxylation that has also been applied in carbon isotope labeling.

  三苯乙酸的钾盐被开发为 CO 2和碱/金属化剂的组合来源。该方法无需专用设备，可用于一系列化合物类别的羧化。这提供了一种机械上不同的羧化方法，该方法也已应用于碳同位素标记。
• PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2024118858A1

  公开（公告）日：2024-06-06

  Provided are compounds of Formula I, Formula Ia and Formula Ib and the pharmaceutically acceptable salts, esters, and prodrugs thereof, which are DGAT2 inhibitors. Also provided are methods of making compounds of Formula I, Formula Ia and Formula Ib, pharmaceutical compositions comprising compounds of Formula I, Formula Ia and Formula Ib, and methods of using these compounds to treat hepatic steatosis, nonalcoholic steatohepatitis (NASH), hepatic fibrosis, type-2 diabetes mellitus, obesity, hyperlipidemia, hypercholesterolemia, atherosclerosis, cognitive decline, dementia, cardiorenal diseases such as chronic kidney diseases and heart failure and related diseases and conditions, comprising administering a compound of Formula I, Ia and Ib and the pharmaceutically acceptable salts, esters, and prodrugs thereof, to a patient in need thereof.