methyl 2-[3-(t-butyldimethylsilanyloxymethyl)-4-ethoxybenzyl]tetrahydro-2-furancarboxylate | 499789-66-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl 2-[3-(t-butyldimethylsilanyloxymethyl)-4-ethoxybenzyl]tetrahydro-2-furancarboxylate
• 英文别名: methyl 2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylate
• CAS: 499789-66-1
• 化学式: C₂₂H₃₆O₅Si
• 分子量: 408.61
• InChiKey: CBNGRFYNXBKVIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.87
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-[3-(t-butyldimethylsilanyloxymethyl)-4-ethoxybenzyl]tetrahydro-2-furancarboxylate 在 Dowex 50X ion-exchange resin 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 methyl 2-(4-ethoxy-3-hydroxymethylbenzyl)tetrahydro-2-furancarboxylate
  参考文献：
  名称：

  EP1452521

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 2-{[3-(t-butyldimethylsilanyloxymethyl)-4-ethoxyphenyl]methylsulfanylcarboxyoxymethyl}tetrahydro-2-furancarboxylate 生成 methyl 2-[3-(t-butyldimethylsilanyloxymethyl)-4-ethoxybenzyl]tetrahydro-2-furancarboxylate
  参考文献：
  名称：

  EP1452521

  摘要：

  公开号：

文献信息

• Cyclic compound and ppar agonist
  申请人：Clark Richard

  公开号：US20050014833A1

  公开（公告）日：2005-01-20

  The present invention provides a novel compound having an excellent PPAR agonist action. More specifically, it provides a compound represented by the following formula, a salt thereof, an ester thereof or a hydrate of them. Wherein a, b and c are the same as or different from one another and each represents 0 to 4; R 1 to R 6 are the same as or different from one another and each represents a hydrogen atom, a hydroxyl group, a cyano group, a halogen atom, etc.; A 1 and A 2 are the same as or different from each other and each represents a single bond, an oxygen atom, etc.; L, M and T each represent a single bond, an alkylene group having one to six carbon atoms, etc.; W represents a carboxyl group; the partial structure represented by the formula: represents a single bond or a double bond; X represents a single bond, an oxygen atom, —NR X1 CQ 1 O—, etc.; Y represents Y 1 —Y 2 — (wherein Y 1 represents a 5 to 14-membered aromatic ring having one to four substituents, etc.; and Y 2 represents a single bond or a 5 to 14-membered aromatic ring); and the ring Z represents a 5 to 14-membered aromatic ring which have one to four substituents selected form the above-mentioned Group A, may have one or more hetero atoms and may be partially saturated.

  本发明提供了一种具有出色PPAR激动剂作用的新化合物。更具体地说，它提供了一种由以下公式表示的化合物，其盐，酯或水合物。其中a，b和c彼此相同或不同，每个表示0到4; R1至R6彼此相同或不同，每个表示氢原子，羟基，氰基，卤素原子等; A1和A2彼此相同或不同，每个表示单键，氧原子等; L，M和T每个表示单键，具有一到六个碳原子的烷基等; W表示羧基;由以下公式表示的部分结构:表示单键或双键; X表示单键，氧原子，-NRX1CQ1O-等; Y表示Y1-Y2-（其中Y1表示具有一到四个取代基的5到14个成员的芳香环等; Y2表示单键或5到14个成员的芳香环）; 而环Z表示从上述A族中选择的具有一到四个取代基的5到14个成员的芳香环，可以具有一个或多个杂原子，并且可以部分饱和。
• Cyclic compound and PPAR agonist
  申请人：Eisai Co., Ltd.

  公开号：US07371777B2

  公开（公告）日：2008-05-13

  The present invention provides a novel compound having an excellent PPAR agonist action. More specifically, it provides a compound represented by the following formula, a salt thereof, an ester thereof or a hydrate of them. Wherein a, b and c are the same as or different from one another and each represents 0 to 4; R1 to R6 are the same as or different from one another and each represents a hydrogen atom, a hydroxyl group, a cyano group, a halogen atom, etc.; A1 and A2 are the same as or different from each other and each represents a single bond, an oxygen atom, etc.; L, M and T each represent a single bond, an alkylene group having one to six carbon atoms, etc.; W represents a carboxyl group; the partial structure represented by the formula: represents a single bond or a double bond; X represents a single bond, an oxygen atom, —NRx1CQ1O—, etc.; Y represents Y1—Y2— (wherein Y1 represents a 5 to 14-membered aromatic ring having one to four substituents, etc.; and Y2 represents a single bond or a 5 to 14-membered aromatic ring); and the ring Z represents a 5 to 14-membered aromatic ring which have one to four substituents selected form the above-mentioned Group A, may have one or more hetero atoms and may be partially saturated.

  本发明提供了一种具有出色PPAR激动剂作用的新化合物。更具体地说，它提供了一种由以下公式表示的化合物，其盐，酯或其水合物。其中a、b和c相同或不同，分别表示0到4；R1至R6相同或不同，分别表示氢原子，羟基，氰基，卤素原子等；A1和A2相同或不同，分别表示单键，氧原子等；L、M和T各自表示单键，具有1至6个碳原子的烷基等；W表示羧基；由以下公式表示的部分结构：表示单键或双键；X表示单键，氧原子，-NRx1CQ1O-等；Y表示Y1-Y2-（其中Y1表示具有1至4个取代基的5至14环芳烃环等；Y2表示单键或5至14环芳烃环）；环Z表示具有1至4个从上述A组中选择的取代基的5至14环芳烃环，可以具有一个或多个杂原子，并且可以部分饱和。