6-tert-butyl-1,4-benzodioxin | 110306-99-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶英
• 英文名称: 6-tert-butyl-1,4-benzodioxin
• 英文别名: 6-tert-Butyl-1,4-benzodioxine
• CAS: 110306-99-5
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: ZLJMCMSCNASQAV-UHFFFAOYSA-N

物化性质

• 沸点：
  55-60 °C(Press: 4 Torr)
• 密度：
  1.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-tert-butyl-1,4-benzodioxin 在 臭氧 作用下， 以 二氯甲烷 为溶剂， 生成 5-tert-butyl-2,9,11,12,13-pentaoxatricyclo[8.2.1.03,8]trideca-3(8),4,6-triene
  参考文献：
  名称：

  Photolysis of the ozonide derived from 1,4-benzodioxins. Synthesis of labile o-benzoquinones

  摘要：

  DOI：

  10.1021/jo00234a020
• 作为产物：
  描述：

  对叔丁基邻苯二酚 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 potassium carbonate 、 sodium iodide 作用下， 以 乙二醇 为溶剂， 反应 18.0h， 生成 6-tert-butyl-1,4-benzodioxin
  参考文献：
  名称：

  Photolysis of the ozonide derived from 1,4-benzodioxins. Synthesis of labile o-benzoquinones

  摘要：

  DOI：

  10.1021/jo00234a020

文献信息

• METHOD FOR PRODUCING INTERMEDIATE USEFUL FOR SYNTHESIS OF SGLT INHIBITOR
  申请人：Daewoong Pharmaceutical Co., Ltd.

  公开号：US20210292291A1

  公开（公告）日：2021-09-23

  A method of preparing an intermediate useful for the synthesis of a diphenylmethane derivative that can be used as an SGLT inhibitor is described. A method of synthesizing a compound of Formula 7 can address problems of existing synthesis processes requiring the synthesis of the Grignard reagent and management of related substances. In addition, the method can minimize the generation of related substances, and thus does not require reprocessing of reaction products, thereby simplifying the process. Accordingly, the production yield of a diphenylmethane derivative can be maximized.

  描述了一种用于合成可用作SGLT抑制剂的二苯甲烷衍生物的中间体的制备方法。合成化合物7的方法可以解决现有合成过程中需要合成格氏试剂并管理相关物质的问题。此外，该方法可以最小化相关物质的生成，因此不需要对反应产物进行再处理，从而简化了过程。因此，可以最大化二苯甲烷衍生物的产量。
• C-ARYL GLUCOSIDE DERIVATIVE, PREPARATION METHODS THEREOF, AND MEDICAL APPLICATIONS THEREOF
  申请人：JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD.

  公开号：US20160222047A1

  公开（公告）日：2016-08-04

  C-aryl glucoside derivatives, preparation methods thereof, and medical applications thereof are described. Specifically, compounds represented by formula I, and, tautomers, enantiomers, diastereomers, racemates, and pharmaceutically acceptable salts of the compounds, preparation methods thereof, pharmaceutical compositions containing the compounds, and applications thereof are described. Compounds of formula (I) are useful as therapeutic agents, and particularly as sodium-dependent glucose contransporter protein (SGLT) inhibitors.

  本文描述了C-芳基葡萄糖苷衍生物，其制备方法以及医药应用。具体而言，描述了由式I表示的化合物，以及该化合物的互变异构体、对映体、非对映体、拉卡酯和药学上可接受的盐，其制备方法，含有该化合物的药物组合物以及其应用。式(I)的化合物可用作治疗剂，特别是作为钠依赖葡萄糖共转运蛋白（SGLT）抑制剂。
• METHOD FOR PRODUCING DIPHENYLMETHANE DERIVATIVE
  申请人：DAEWOONG PHARMACEUTICAL CO., LTD.

  公开号：US20190169174A1

  公开（公告）日：2019-06-06

  The present invention relates to an improved method for producing a diphenylmethane derivative which is effective as a sodium-dependent glucose cotransporter (SGLT) inhibitor, the method being carried out by means of a convergent synthesis method in which each major group is separately synthesized and then coupled. As such, in comparison to a linear synthesis method disclosed in existing documents, the synthesis pathway is compact and yield can be increased, and risk factors inherent in the linear synthesis pathway can be reduced. Furthermore, the crystal form of the compound produced according to the method has superb physicochemical characteristics, and thus can be effectively utilized in fields such as pharmaceutical manufacturing.

  本发明涉及一种改进的制备二苯甲烷衍生物的方法，该方法作为一种钠依赖型葡萄糖共转运蛋白（SGLT）抑制剂具有高效性，该方法通过收敛合成方法进行，其中每个主要基团分别合成然后耦合。因此，与现有文件披露的线性合成方法相比，合成途径更为紧凑，产率可以提高，并且线性合成途径固有的风险因素可以降低。此外，根据该方法生产的化合物的晶型具有出色的物理化学特性，因此可以有效地应用于制药制造等领域。
• Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure
  申请人：Bakthavatchalam Rajagopal

  公开号：US20090082362A1

  公开（公告）日：2009-03-26

  Disclosed are diaryl piperazines and related compounds. These compounds are selective modulators of capsaicin receptors, including human capsaicin receptors, that are, therefore, useful in the treatment of a chronic and acute pain conditions, itch and urinary incontinence. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of capsaicin receptors and as standards in assays for capsaicin receptor binding and capsaicin receptor mediated cation conductance. Methods of using the compounds in receptor localization studies are given.

  本发明涉及二芳基哌嗪和相关化合物。这些化合物是辣椒素受体的选择性调节剂，包括人类辣椒素受体，因此在治疗慢性和急性疼痛、瘙痒和尿失禁等疾病方面非常有用。本发明还提供了治疗这些疾病的方法以及药物组合物的包装。本发明的化合物还可用作辣椒素受体定位的探针和辣椒素受体结合和辣椒素受体介导的阳离子传导的测定标准。给出了使用这些化合物进行受体定位研究的方法。
• High affinity small molecule C5a receptor modulators
  申请人：Thurkauf Andrew

  公开号：US20070027158A1

  公开（公告）日：2007-02-01

  This invention relates to low molecular weight, non-peptidic, non-peptidomimetic, organic molecules that act as modulators of mammalian complement C5a receptors, preferably ones that act as high affinity C5a receptor ligands and also to such ligands that act as antagonists or inverse agonists of complement C5a receptors. Preferred compounds of the invention possess some or all of the following properties in that they are: 1) multi-aryl in structure, 2) heteroaryl in structure, 3) a pharmaceutically acceptable oral dose can provide a detectable in vitro effect, 4) comprise fewer than four or preferably no amide bonds, and 5) capable of inhibiting leukocyte chemotaxis at nanomolar or sub-nanomolar concentrations. This invention also relates to pharmaceutical compositions comprising such compounds and the use of such compounds in treating a variety of inflammatory and immune system disorders. Additionally, this invention relates to the use such compounds as probes for the localization of C5a receptors.

  本发明涉及低分子量、非肽、非肽类似物有机分子，其作为哺乳动物补体C5a受体的调节剂。其中，优选的化合物是作为高亲和力C5a受体配体的，也是作为补体C5a受体的拮抗剂或反向激动剂的。该发明的优选化合物具有以下一些或全部特性：1）多芳基结构，2）杂芳基结构，3）药学上可接受的口服剂量可提供可检测的体外效果，4）包含少于四个或优选不含酰胺键，5）能够在纳摩尔或亚纳摩尔浓度下抑制白细胞趋化。此外，本发明还涉及包括这些化合物的制药组合物，以及将这些化合物用于治疗各种炎症和免疫系统疾病的用途。此外，本发明还涉及将这些化合物用作C5a受体定位的探针的用途。