4-(1,3-苯并恶唑-2-基)-2,6-二甲基苯酚 | 1004983-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(1,3-苯并恶唑-2-基)-2,6-二甲基苯酚
• 英文名称: 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol
• 英文别名: 4-(1,3-Benzoxazol-2-Yl)-2,6-Dimethylphenol
• CAS: 1004983-98-5
• 化学式: C₁₅H₁₃NO₂
• 分子量: 239.274
• InChiKey: NORYHCMDDBZXDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  tert-butyl 4-(benzoyloxy)piperazine-1-carboxylate 、 4-(1,3-苯并恶唑-2-基)-2,6-二甲基苯酚 在 copper(II) bis(trifluoromethanesulfonate) 、 lithium tert-butoxide 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以52%的产率得到
  参考文献：
  名称：

  铜催化简单酚与邻苯甲酰羟胺的邻位选择性脱芳香性C–N偶联

  摘要：

  据报道，Cu催化简单的酚与O-苯甲酰羟胺（R'RN–OBz）的脱芳香化反应，合成α-氨基环己2,4-二烯酮。这种分子间转化仅发生在羟基邻位，提供了一种方便的方法来高产率地合成所需的产物。反应在温和的条件下进行，并能耐受各种官能团。机理研究表明，这种转变是通过以下两种方式进行的：（1）一种单电子转移过程，其中包括一个以N为中心的自由基攻击苯酚，或者（2）一种双电子途径，该途径涉及将苯酚添加到亲电子Cu III-氨基络合物中通过内球过程。

  DOI：

  10.1021/acscatal.9b01317
• 作为产物：
  描述：

  4-羟基-3,5-二甲基苯甲酸 、 2-氨基苯酚 在 对甲苯磺酸 作用下， 以 xylene 为溶剂， 反应 18.0h， 以78%的产率得到4-(1,3-苯并恶唑-2-基)-2,6-二甲基苯酚
  参考文献：
  名称：

  Biochemical and Structural Evaluation of Highly Selective 2-Arylbenzoxazole-Based Transthyretin Amyloidogenesis Inhibitors

  摘要：

  To develop potent transthyretin (TTR) amyloidogenesis inhibitors that also display high binding selectivity in blood, it proves useful to systematically optimize each of the three substructural elements that comprise a typical inhibitor: the two aryl rings and the linker joining them. In the first study, described herein, structural modifications to one aryl ring were evaluated by screening a library of 2-arylbenzoxazoles bearing thyroid hormone-like aryl substituents on the 2-aryl ring. Several potent and highly selective amyloidogenesis inhibitors were identified that exhibit minimal thyroid hormone nuclear receptor and COX-1 binding. High resolution crystal structures (1.3-1.5 angstrom) of three inhibitors (2f, 4f, and 4d) in complex with TTR were obtained to characterize their binding orientation. Collectively, the results demonstrate that thyroid hormone-like substitution patterns on one aryl ring lead to potent and highly selective TTR amyloidogenesis inhibitors that lack undesirable thyroid hormone receptor or COX-1 binding.

  DOI：

  10.1021/jm0708735

文献信息

• Multichromophoric ultraviolet stabilizers and their use in organic
  申请人：Eastman Kodak Company

  公开号：US04256626A1

  公开（公告）日：1981-03-17

  The invention relates to multichromophoric compounds which have been found to be effective ultraviolet stabilizers. The invention also relates to ultraviolet degradable organic compositions containing a stabilizing amount of the multichromophoric composition to prevent such degradation. These stabilizers are effective in the presence of other additives commonly employed in polymeric compositions including, for example, pigments, colorants, fillers, reinforcing agents and the like. These ultraviolet stablizers may also be incorporated into the organic compositions in the polymer melt or dissolved in the polymer dope, coated on the exterior of the molded article, film or extruded fiber.

  本发明涉及一种多色团化合物，已发现其具有有效的紫外线稳定剂作用。本发明还涉及含有多色团化合物稳定剂量的紫外线可降解有机组成物，以防止这种降解。这些稳定剂在聚合物组成物中存在其他常用添加剂的情况下具有有效性，包括颜料、染料、填料、增强剂等。这些紫外线稳定剂也可以在聚合物熔融中或溶解在聚合物溶液中被纳入有机组成物中，涂覆在成型件、薄膜或挤出纤维的外部。
• IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS
  申请人：CAMP4 THERAPEUTICS CORPORATION

  公开号：US20210254056A1

  公开（公告）日：2021-08-19

  The present invention provides methods and compositions for the evaluation, alteration and/or optimization of gene signaling. Methods and systems are also provided which exploit the information generated in the identification of new targets and non-canonical signaling pathways.
• US4127501A
  申请人：——

  公开号：US4127501A

  公开（公告）日：1978-11-28
• US4115348A
  申请人：——

  公开号：US4115348A

  公开（公告）日：1978-09-19
• US4174321A
  申请人：——

  公开号：US4174321A

  公开（公告）日：1979-11-13