5-tert-Butyl-2,2-dimethyl-2,3-dihydro-benzofuran | 86847-47-4

• 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: 5-tert-Butyl-2,2-dimethyl-2,3-dihydro-benzofuran
• 英文别名: 5-t-Butyl-2,2-dimethyl-2,3-dihydrobenzofuran；5-tert-butyl-2,2-dimethyl-3H-1-benzofuran
• CAS: 86847-47-4
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: CWJHNQMFBSYHLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-tert-Butyl-2-(1-hydroxy-2-methyl-propyl)-phenol 在 Amberlyst 15 作用下， 以 正己烷 为溶剂， 反应 20.0h， 生成 5-tert-Butyl-2,2-dimethyl-2,3-dihydro-benzofuran
  参考文献：
  名称：

  Selective Synthesis of 2-Alkenylphenols and 2,2-Dialkyl-2,3-dihydrobenzofurans from 2-Hydroxybenzyl Alcohols

  摘要：

  DOI：

  10.1055/s-1984-31033

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：US20180079720A1

  公开（公告）日：2018-03-22

  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.

  化合物的式子为(I):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从可选取的取代苯基，杂环芳基，环烷基和杂环烷基群中选择；化合物的制备和治疗用途为公式(I)的抑制剂和降解剂，特别适用于癌症治疗。
• LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS
  申请人：InterMune, Inc.

  公开号：US20140213538A1

  公开（公告）日：2014-07-31

  Compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or diagnose diseases, disorders, or conditions associated with one or more of the lysophosphatidic acid receptors are provided.

  本发明提供了化合物、制备这种化合物的方法、包含这种化合物的制药组合物和药物，以及使用这种化合物治疗、预防或诊断与一种或多种溶血磷脂酸受体相关的疾病、疾病、或病况的方法。
• Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof
  申请人：SANOFI

  公开号：US10570090B2

  公开（公告）日：2020-02-25

  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.

  式(I)化合物： 其中 R1 和 R2 代表氢原子或氘原子；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 R3 或 R5 中至少有一个不同于氢原子；当 R3 代表-COOH、-OH 或-OPO(OH)2 基团时，则 R5 代表氢原子；当 R5 代表-OH 基团时，则 R3 和 R4 代表氢原子；以及 R6 选自任选取代的苯基、杂芳基、环烷基和杂环烷基； 以及式（I）化合物作为雌激素受体抑制剂和降解剂的制备和治疗用途，特别是在癌症治疗中的用途。
• Compounds, salts thereof and methods for treatment of diseases
  申请人：ACADIA PHARMACEUTICALS INC.

  公开号：US11345693B2

  公开（公告）日：2022-05-31

  The present disclosure relates to compounds according to Formula (I), useful for treating diseases.

  本公开涉及可用于治疗疾病的式 (I) 化合物。
• O-Quinonemethide intermediates and their role in coordinated reactions of magnesium phenoxides with .alpha.-branched aliphatic aldehydes
  作者：Giuseppe Casnati、Andrea Pochini、Maria Giuliana Terenghi、Rocco Ungaro

  DOI：10.1021/jo00169a036

  日期：1983.10