6-chloro-2-ethylbenzo[d]oxazole | 1027019-12-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 6-chloro-2-ethylbenzo[d]oxazole
• 英文别名: 6-Chloro-2-ethylbenzoxazole；6-chloro-2-ethyl-1,3-benzoxazole
• CAS: 1027019-12-0
• 化学式: C₉H₈ClNO
• 分子量: 181.622
• InChiKey: GWVZBQGQQUJCCT-UHFFFAOYSA-N

物化性质

• 沸点：
  256.1±13.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  N-(4-氯苯基)丙酰胺 在 4-硝基碘苯 、 Oxone 、 三氟甲磺酸 作用下， 反应 12.0h， 以63%的产率得到6-chloro-2-ethylbenzo[d]oxazole
  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

• ORGANIC COMPOUNDS AND THEIR USES
  申请人：Brandl Trixl

  公开号：US20100204159A1

  公开（公告）日：2010-08-12

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of human diseases.

  本申请描述了对人类疾病的治疗、预防和/或改善有用的有机化合物。
• Organic Compounds and Their Uses
  申请人：Brandl Trixi

  公开号：US20080045530A1

  公开（公告）日：2008-02-21

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of human diseases.

  本申请描述了有机化合物，可用于治疗、预防和/或改善人类疾病。
• MULTI-USE MULTIMODAL IMAGING CHELATES
  申请人：Bornhop Darryl J.

  公开号：US20080241873A1

  公开（公告）日：2008-10-02

  Cyclen-based chelates can be used as contrast agents for multi-modal imaging of tissue cells. The cyclen-based chelates are preferably polyazamacrocyclic molecules formed from 1,4,7,10 tetraazacyclododecane (“cyclen”) having varying chelating ions, phosphoester chains, and light harvesting moieties. By changing the chelating ion, phosphoester chain length and/or the light harvesting moiety different imaging techniques, such as MRI, CT, fluorescence and absorption, x-ray and NIR, may be employed to image the tissue cells. Additionally, the cyclen-based chelates may be conjugated to provide for site-specific delivery of the cyclen-based chelate to the desired tissue cells. The cyclen-based chelates may also be delivered to the tissue cells by attaching the cyclen-based to a polymeric delivery vehicle. Although these cyclen-based chelates have a wide variety of application, the preferred use is for imaging of cancer cells, such as brain cancer, for improving resection of a cancerous tissue.

  基于环丙氮（Cyclen）的螯合剂可用作多模态组织细胞成像的对比剂。这些基于环丙氮的螯合剂最好是由1,4,7,10-四氮杂环十二烷（“Cyclen”）形成的多氮杂大环分子，具有不同的螯合离子、磷酸酯链和光收集基团。通过改变螯合离子、磷酸酯链长度和/或光收集基团，可以使用不同的成像技术，如MRI、CT、荧光和吸收、X射线和近红外线来成像组织细胞。此外，可以将基于环丙氮的螯合剂共价结合，以实现对所需组织细胞的位点特异性递送。也可以通过将基于环丙氮的螯合剂连接到聚合物递送载体上来将其递送到组织细胞中。尽管这些基于环丙氮的螯合剂有广泛的应用，但首选用途是用于癌细胞成像，如脑癌，以改善癌组织切除。
• Organic Compounds and their uses
  申请人：Britt Shawn D.

  公开号：US20100240638A1

  公开（公告）日：2010-09-23

  The present application describes macrocyclic compounds of formula (I) with NS3 protease inhibitory activity for treating hepatitis C virus infection.

  本申请描述了公式（I）的大环化合物，具有NS3蛋白酶抑制活性，用于治疗丙型肝炎病毒感染。
• Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase
  申请人：Vanderbilt University

  公开号：US10329304B2

  公开（公告）日：2019-06-25

  Compounds and compositions, and methods of use thereof, are provided and have utility in inhibiting hedgehog signaling and/or phosphodiesterase-4 activity.

  所提供的化合物和组合物及其使用方法可用于抑制刺猬信号和/或磷酸二酯酶-4 的活性。