Ethyl 2-[5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]acetate | 463927-65-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ethyl 2-[5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]acetate
• CAS: 463927-65-3
• 化学式: C₂₃H₂₈O₅
• 分子量: 384.472
• InChiKey: CQROXMGNTRIXQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]acetate 在 sodium hydroxide 作用下， 以72%的产率得到2-[5-(4-Hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]acetic acid
  参考文献：
  名称：

  Novel heterocyclic thyromimetics. Part 2

  摘要：

  Novel heterocyclic thyromimetics are presented carrying carboxy-substituted benzofurans or sulfur containing heterocycles, as replacements for the amino acid side chain of T3. Potent agonists were identified in both series. SAR trends are examined and found to be mostly consistent with previously published thyromimetics. The lack of isoform selectivity demonstrated with isoform-selective transient THR transfection assays has been confirmed by corresponding in vivo studies. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.085
• 作为产物：
  描述：

  4-溴-2-丁烯酸甲酯 在 三氯化铝 、 copper bronze 、 三乙胺 、 乙硫醇 、 zinc(II) chloride 作用下， 以 正庚烷 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 Ethyl 2-[5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]acetate
  参考文献：
  名称：

  Novel heterocyclic thyromimetics. Part 2

  摘要：

  Novel heterocyclic thyromimetics are presented carrying carboxy-substituted benzofurans or sulfur containing heterocycles, as replacements for the amino acid side chain of T3. Potent agonists were identified in both series. SAR trends are examined and found to be mostly consistent with previously published thyromimetics. The lack of isoform selectivity demonstrated with isoform-selective transient THR transfection assays has been confirmed by corresponding in vivo studies. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.085

文献信息

• Novel heterocyclic thyromimetics. Part 2
  作者：Helmut Haning、Ulrich Mueller、Gunter Schmidt、Carsten Schmeck、Verena Voehringer、Axel Kretschmer、Hilmar Bischoff

  DOI：10.1016/j.bmcl.2007.04.085

  日期：2007.7

  Novel heterocyclic thyromimetics are presented carrying carboxy-substituted benzofurans or sulfur containing heterocycles, as replacements for the amino acid side chain of T3. Potent agonists were identified in both series. SAR trends are examined and found to be mostly consistent with previously published thyromimetics. The lack of isoform selectivity demonstrated with isoform-selective transient THR transfection assays has been confirmed by corresponding in vivo studies. (C) 2007 Elsevier Ltd. All rights reserved.