1-(2,3-dihydrobenzofuran-5-yl)-2,2-dimethylpropan-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 1-(2,3-dihydrobenzofuran-5-yl)-2,2-dimethylpropan-1-one
• 英文别名: 1-(2,3-Dihydro-benzofuran-5-yl)-2,2-dimethyl-propan-1-one；1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: QJIFSRVGLGRPPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  2
• 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：

  2,3-二氢苯并呋喃 、 三甲基乙酸酐 在 zeolite HY 作用下， 反应 4.5h， 以57%的产率得到1-(2,3-dihydrobenzofuran-5-yl)-2,2-dimethylpropan-1-one
  参考文献：
  名称：

  Acylation of aromatic ethers over solid acid catalysts: scope of the reaction with more complex acylating agents

  摘要：

  在沸石催化剂的作用下，苯甲醚与 2-苯基丁酸衍生物发生酰化反应，可得到具有高区域选择性的相应 4-酰基衍生物。类似地，2,3-二氢苯并呋喃与酸酐或氯化物在沸石催化下发生反应，生成相应的 5-酰基-2,3-二氢苯并呋喃。沸石可以回收、再生和再次使用，其产量几乎与新鲜沸石相同。该反应已用于合成 (2,3-二氢苯并呋喃-5-基) 乙醛酸乙酯。

  DOI：

  10.1039/b303906d

文献信息

• COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE
  申请人：SHY Therapeutics LLC

  公开号：US20170174699A1

  公开（公告）日：2017-06-22

  Provided herein are compounds that inhibit the phosphorylation of MAPK and thus are useful in compositions and methods for treating cancer and inflammatory disease.

  本文提供了抑制MAPK磷酸化的化合物，因此可用于治疗癌症和炎症性疾病的组合物和方法。
• Compounds for the treatment of cancer and inflammatory disease
  申请人：SHY Therapeutics LLC

  公开号：US10221191B2

  公开（公告）日：2019-03-05

  Provided herein are compounds that inhibit the phosphorylation of MAPK and thus are useful in compositions and methods for treating cancer and inflammatory disease.

  本文提供的化合物可抑制 MAPK 磷酸化，因此可用于治疗癌症和炎症性疾病的组合物和方法中。
• Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease
  申请人：Shy Therapeutics LLC

  公开号：US10940139B2

  公开（公告）日：2021-03-09

  Provided herein are methods and compositions for treating cancers, inflammatory diseases, rasopathies, and fibrotic disease involving aberrant Ras superfamily signaling through the binding of compounds to the GTP binding domain of Ras superfamily proteins including, in certain cases, K-Ras and mutants thereof, and a novel method for assaying such compositions.

  本文提供了通过化合物与 Ras 超家族蛋白（在某些情况下包括 K-Ras 及其突变体）的 GTP 结合结构域结合，治疗涉及 Ras 超家族信号异常的癌症、炎症性疾病、rasopathies 和纤维化疾病的方法和组合物，以及检测此类组合物的新方法。
• COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE
  申请人：Shy Therapeutics LLC

  公开号：US20200054614A1

  公开（公告）日：2020-02-20

  Provided herein are methods and compositions for treating cancers, inflammatory diseases, rasopathies, and fibrotic disease involving aberrant Ras superfamily signaling through the binding of compounds to the GTP binding domain of Ras superfamily proteins including, in certain cases, K-Ras and mutants thereof, and a novel method for assaying such compositions.
• Acylation of aromatic ethers over solid acid catalysts: scope of the reaction with more complex acylating agents
  作者：Keith Smith、Gamal A. El-Hiti、Anthony J. Jayne、Michael Butters

  DOI：10.1039/b303906d

  日期：——

  Acylation of anisole with 2-phenylbutanoic acid derivatives, over zeolite catalysts, gives the corresponding 4-acyl derivatives with high regioselectivity. In an analogous way, 2,3-dihydrobenzofuran reacts with acid anhydrides or chlorides in the presence of catalytic quantities of zeolites to give the corresponding 5-acyl-2,3-dihydrobenzofurans. The zeolite can be recovered, regenerated and used again to give almost the same yield as with fresh zeolite. The reaction has been applied to the synthesis of ethyl (2,3-dihydrobenzofuran-5-yl)glyoxylate.

  在沸石催化剂的作用下，苯甲醚与 2-苯基丁酸衍生物发生酰化反应，可得到具有高区域选择性的相应 4-酰基衍生物。类似地，2,3-二氢苯并呋喃与酸酐或氯化物在沸石催化下发生反应，生成相应的 5-酰基-2,3-二氢苯并呋喃。沸石可以回收、再生和再次使用，其产量几乎与新鲜沸石相同。该反应已用于合成 (2,3-二氢苯并呋喃-5-基) 乙醛酸乙酯。