6-tert.-Butyl-3.4-dihydro-cumarin | 3097-66-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 3,4-二氢香豆素
• 英文名称: 6-tert.-Butyl-3.4-dihydro-cumarin
• 英文别名: 6-Tert-butyl-3,4-dihydrochromen-2-one；6-tert-butyl-3,4-dihydrochromen-2-one
• CAS: 3097-66-3
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: CWZRTGVIKAXKGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-(5-(叔丁基)-2-羟基苯基)丙烯醛 在 4-二甲氨基吡啶 、 4-mesityl-3-(4-methoxyphenyl)-1-phenyl-4H-1,2,4-triazol-1-ium perchlorate 作用下， 以 乙酸乙酯 为溶剂， 反应 15.0h， 以52%的产率得到6-tert.-Butyl-3.4-dihydro-cumarin
  参考文献：
  名称：

  An Efficient Carbene-Catalyzed Access to 3,4-Dihydrocoumarins

  摘要：

  Dihydrocoumarins play an important role as flavor and fragrance compounds and can be prepared efficiently from o-hydroxycinnamaldehydes in a mild, atom-economic N-heterocyclic carbene-catalyzed redox lactonization. Corresponding coumarins are accessible via a one-pot domino oxidation lactonization procedure in the presence of oxidants.

  DOI：

  10.1021/jo802285r

文献信息

• GPR35 modulators
  申请人：Prometheus Biosciences, Inc.

  公开号：US11053251B2

  公开（公告）日：2021-07-06

  Described herein are GPR35 modulators and methods of using these compounds in the treatment of diseases, disorders or conditions. Also described herein are pharmaceutical compositions containing such compounds.

  本文描述了 GPR35 调节剂以及使用这些化合物治疗疾病、失调或病症的方法。本文还描述了含有此类化合物的药物组合物。
• FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1
  申请人：CANCER RESEARCH TECHNOLOGY LIMITED

  公开号：US20160289216A1

  公开（公告）日：2016-10-06

  The present invention relates to compounds of formula I as defined herein. The compounds of the present invention are inhibitors of heat shock factor 1 (HSF1). In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.
• FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR I
  申请人：Cancer Research Technology Limited

  公开号：US20170037036A1

  公开（公告）日：2017-02-09

  The present invention relates to compounds of formula I as defined herein. The compounds of the present invention are inhibitors of heat shock factor 1 (HSF1). In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.
• QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY
  申请人：Cancer Research Technology Limited

  公开号：US20180093955A1

  公开（公告）日：2018-04-05

  The present invention relates to compounds of formula I wherein R, R 4 and Q are each as defined herein. The compounds of the present invention are inhibitors of heat shock factor 1 pathway (HSF1 pathway). In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.
• GPR35 MODULATORS
  申请人：Prometheus Biosciences, Inc.

  公开号：US20200239476A1

  公开（公告）日：2020-07-30

  Described herein are GPR35 modulators and methods of using these compounds in the treatment of diseases, disorders or conditions. Also described herein are pharmaceutical compositions containing such compounds.