5-异丙基-2-甲基-1,3-苯并恶唑 | 126892-00-0

• 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: 5-异丙基-2-甲基-1,3-苯并恶唑
• 英文名称: 5-isopropyl-2-methylbenzo[d]oxazole
• 英文别名: 2-Methyl-5-(propan-2-yl)-1,3-benzoxazole；2-methyl-5-propan-2-yl-1,3-benzoxazole
• CAS: 126892-00-0
• 化学式: C₁₁H₁₃NO
• 分子量: 175.23
• InChiKey: WNNGEWIOXOWYGE-UHFFFAOYSA-N

物化性质

• 沸点：
  245.5±9.0 °C(Predicted)
• 密度：
  1.056±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  硝基乙烷 、 4-异丙基苯酚 在 polyphosphoric acid 作用下， 反应 5.0h， 以72%的产率得到5-异丙基-2-甲基-1,3-苯并恶唑
  参考文献：
  名称：

  One-pot synthesis of benzoxazoles via the metal-free ortho-C–H functionalization of phenols with nitroalkanes

  摘要：

  PPA活化的硝基烷烃被用于设计一种一锅法级联转化，涉及对位C-H官能化，通过贝克曼重排，和缩合反应直接从酚中产生苯并噁唑和苯并噁唑醌。

  DOI：

  10.1039/c5ra15128g

文献信息

• NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF
  申请人：SANOFI

  公开号：US20200392081A1

  公开（公告）日：2020-12-17

  Compounds of formula (I): wherein R1 and R2 represent hydrogen or deuterium atoms; R3 represents a hydrogen atom or a —COOH, a —OH or a —OPO(OH) 2 group; R4 represents a hydrogen atom or a fluorine atom; R5 represents a hydrogen atom or a —OH group; wherein at least one of R3 or R5 is different from a hydrogen atom; when R3 represents a —COOH, —OH or —OPO(OH) 2 group, then R5 represents a hydrogen atom; when R5 represents a —OH group, then R3 and R4 represent hydrogen atoms; and R6 is selected from an optionally substituted phenyl, heteroaryl, cycloalkyl and heterocycloalkyl group; and the preparation and the therapeutic uses of the compounds of formula (I) as inhibitors and degraders of estrogen receptors, useful especially in the treatment of cancer.

  化学式为（I）的化合物：其中R1和R2代表氢或氘原子；R3代表氢原子或—COOH，—OH或—OPO（OH）2基团；R4代表氢原子或氟原子；R5代表氢原子或—OH基团；其中至少一个R3或R5不同于氢原子；当R3代表—COOH，—OH或—OPO（OH）2基团时，R5代表氢原子；当R5代表—OH基团时，R3和R4代表氢原子；R6从可选的取代苯基，杂环芳基，环烷基和杂环烷基中选择；以及化合物（I）的制备和治疗用途，作为雌激素受体的抑制剂和降解剂，特别适用于癌症治疗。
• CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS
  申请人：Singh Rajinder

  公开号：US20100130486A1

  公开（公告）日：2010-05-27

  The invention encompasses compounds having formula I or II and the compositions and methods using these compounds in the treatment of conditions in which inhibition of PKC and PKD is therapeutically useful.

  本发明涵盖具有公式I或II的化合物，以及使用这些化合物治疗抑制PKC和PKD在治疗上有用的情况的组合物和方法。
• FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS
  申请人：Shipps, JR. Gerald W.

  公开号：US20130172341A1

  公开（公告）日：2013-07-04

  Disclosed are the ERK inhibitors of Formula (I): (Formula (I)) and the pharmaceutically acceptable salts thereof. All substitutents are as defined herein. Also disclosed are methods of treating cancer using the compounds of Formula (I).

  本发明涉及公式（I）的ERK抑制剂：（公式（I）），以及其药学上可接受的盐。所有取代基均如本文所定义。还公开了使用公式（I）化合物治疗癌症的方法。
• Quinoxaline Derivative, and Light Emitting Element, Light Emitting Device and Electronic Appliance Using the Same
  申请人：Kawakami Sachiko

  公开号：US20090153041A1

  公开（公告）日：2009-06-18

  A quinoxaline-based, new bipolar organic compound is provided, and a light emitting element using the quinoxaline-based compound is demonstrated. The quinoxaline derivative of the invention has a structure in which carbon at one or both of the 2-position and the 3-position of the quinoxaline unit are bonded, via an arylene group, with an amine unit which has a substituted or unsubstituted five-membered ring or a substituted or unsubstituted condensed ring containing a five-membered ring structure. The quinoxaline-based compound was proven to possess bipolar characteristics in view of carrier transportation, which allows the fabrication of a light emitting element and an electronic appliance with a low driving voltage and low power consumption.

  本发明提供了一种基于喹喔啉的新型双极有机化合物，并演示了使用该基于喹喔啉的化合物的发光元件。该发明的喹喔啉衍生物具有结构，在其中，喹喔啉单元的2位和/或3位的碳通过芳基烃基团与一种含有取代或未取代的五元环或含有五元环结构的取代或未取代的缩合环的胺单元键合。基于喹喔啉的化合物被证明具有双极特性，具有载流子传输的特性，这允许制造具有低驱动电压和低功耗的发光元件和电子设备。
• Quinoxaline derivative, and light emitting element, licht emitting device and electronic appliance using the same
  申请人：SEMICONDUCTOR ENERGY LABORATORY CO., LTD.

  公开号：EP2067778A1

  公开（公告）日：2009-06-10

  A quinoxaline-based, new bipolar organic compound is provided, and a light emitting element using the quinoxaline-based compound is demonstrated. The quinoxaline derivative of the invention has a structure in which carbon at one or both of the 2-position and the 3-position of the quinoxaline unit are bonded, via an arylene group, with an amine unit which has a substituted or unsubstituted five-membered ring or a substituted or unsubstituted condensed ring containing a five-membered ring structure. The quinoxaline-based compound was proven to possess bipolar characteristics in view of carrier transportation, which allows the fabrication of a light emitting element and an electronic appliance with a low driving voltage and low power consumption.

  本发明提供了一种基于喹喔啉的新型双极有机化合物，并展示了一种使用该基于喹喔啉的化合物的发光元件。本发明的喹喔啉衍生物具有这样的结构：喹喔啉单元 2 位和 3 位中的一个或两个位置上的碳通过芳烯基与具有取代或未取代五元环或含有五元环结构的取代或未取代缩合环的胺单元键合。这种基于喹喔啉的化合物被证明在载流子传输方面具有双极特性，因此可以制造低驱动电压和低功耗的发光元件和电子设备。