ethyl 2-phenylbenzo[d]oxazole-6-carboxylate | 1094201-00-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 2-phenylbenzo[d]oxazole-6-carboxylate
• 英文别名: ethyl 2-phenylbenzoxazole-6-carboxylate；ethyl 2-phenyl-1, 3-benzoxazole-6-carboxylate；Ethyl 2-phenyl-1,3-benzoxazole-6-carboxylate
• CAS: 1094201-00-9
• 化学式: C₁₆H₁₃NO₃
• mdl: MFCD18785146
• 分子量: 267.284
• InChiKey: LXVXETFJVQEWRC-UHFFFAOYSA-N

物化性质

• 沸点：
  380.9±15.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-phenylbenzo[d]oxazole-6-carboxylate 在 lithium aluminium tetrahydride 、 (+)-potassium sodium tartrate 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 39.0h， 生成 6-hydroxymethyl-2-phenyl-1, 3-benzoxazole
  参考文献：
  名称：

  NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF

  摘要：

  公开号：

  EP2172450B9
• 作为产物：
  描述：

  4-(苯甲酰基氨基)苯甲酸乙酯 在 4-硝基碘苯 、 Oxone 、 三氟甲磺酸 作用下， 反应 48.0h， 以14%的产率得到ethyl 2-phenylbenzo[d]oxazole-6-carboxylate
  参考文献：
  名称：

  Organocatalytic Syntheses of Benzoxazoles and Benzothiazoles using Aryl Iodide and Oxone via C–H Functionalization and C–O/S Bond Formation

  摘要：

  An organocatalytic protocol for the syntheses of 2-substituted benzoxazoles and benzothiazoles is described from alkyl-/arylanilides and alkyl-/arylthioanilides using 1-iodo-4-nitrobenzene as catalyst and oxone as an inexpensive and environmentally safe terminal oxidant at room temperature in air via oxidative C-H functionalization and C-O/S bond formation. The procedure is simple and general and provides an effective route for the construction of functionalized 2-alkyl-/arylbenzoxazoles and 2-alkyl-/arylbenzothiazoles with moderate to high yields. The synthetic and mechanistic aspects have been described.

  DOI：

  10.1021/jo501216h

文献信息

• Transition-metal free 2-arylbenzoxazole formation from aryl amides and cyclohexanones
  作者：Xiangxiang Cao、Xiufang Cheng、Yang Bai、Saiwen Liu、Guo-Jun Deng

  DOI：10.1039/c4gc01572j

  日期：——

  A transition-metal-free method for the synthesis of 2-arylbenzoxazoles from readily available cyclohexanones and benzamides is described. The combined use of KI, p-TsOH and DMSO significantly improved the reaction yields. Non-aromatic cyclohexanones were smoothly dehydrogenated and acted as the aryl source using oxygen as the oxidant.

  描述了一种无过渡金属的合成2-芳基苯并噁唑的方法，该方法利用易得的环己酮和苯甲酰胺。结合使用KI、p-TsOH和DMSO显著提高了反应产率。非芳香环己酮顺利脱氢，并以氧气作为氧化剂，充当芳基源。
• Malonic acid sulfonamide derivative and pharmaceutical use thereof
  申请人：Yoshida Tomohiro

  公开号：US08461209B2

  公开（公告）日：2013-06-11

  The invention provides a sulfonyl malonamide derivative, or a pharmacologically acceptable salt thereof or a solvate thereof, that has therapeutic and/or preventive effects(s) on various diseases due to its agonist action at AT2 receptor, and is useful as a pharmaceutical agent for the treatment and/or prevention of diseases involving the renin-angiotensin-aldosterone system (RAAS).

  本发明提供了一种磺酰基马隆酰胺衍生物，或其药学上可接受的盐或溶剂，由于其在AT2受体上的激动剂作用，具有对各种疾病的治疗和/或预防作用，并可用作治疗和/或预防涉及肾素-血管紧张素-醛固酮系统（RAAS）疾病的药物。
• AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：BIAN Haiyan

  公开号：US20100324012A1

  公开（公告）日：2010-12-23

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I) as follows: wherein Y, Z, R 1 , and s are defined herein.

  本发明涉及化合物、组合物和方法，用于治疗各种疾病、综合症、状况和障碍，包括疼痛。这些化合物由下式（I）所表示：其中Y、Z、R1和s在此定义。
• US8445477B2
  申请人：——

  公开号：US8445477B2

  公开（公告）日：2013-05-21
• US8461209B2
  申请人：——

  公开号：US8461209B2

  公开（公告）日：2013-06-11