5-tetradecyloxy-2-thiophenecarboxylic acid methyl ester | 62071-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-tetradecyloxy-2-thiophenecarboxylic acid methyl ester
• 英文别名: Methyl 5-(tetradecyloxy)thiophene-2-carboxylate；methyl 5-tetradecoxythiophene-2-carboxylate
• CAS: 62071-12-9
• 化学式: C₂₀H₃₄O₃S
• 分子量: 354.554
• InChiKey: QQZUEQZSRTVTFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  24
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  63.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-tetradecyl-oxy-2-thiophenecarboxylic acid 在 potassium carbonate 、 硫酸二甲酯 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 5-tetradecyloxy-2-thiophenecarboxylic acid methyl ester
  参考文献：
  名称：

  Hypolipidemic agents

  摘要：

  取代的噻吩羧酸和酯以及以下一般结构的药学上可接受的盐可用作降脂药物：##STR1##其中R从含有10到20个碳原子的直链或支链饱和碳氢链和含有10到20个碳原子和1到4个双键的直链或支链不饱和碳氢链中选择；R.sub.1从氢、含有1到6个碳原子的直链或支链较低烷基链、苄基、苯乙基、吡啶基甲基、含有3到6个碳原子的烷烃多基、1,2,3,4,5,6-环己烷六基和Z中选择；Z从##STR2##中选择；其中n是整数2或3；R.sub.2从含有1到4个碳原子的直链或支链较低烷基链和烷基羰基中选择，其中烷基部分含有1到4个碳原子且可能是直链或支链；R.sub.3从氢和含有1到4个碳原子的直链或支链较低烷基链中选择，但当R.sub.3为氢时，R.sub.2为烷基羰基；或当R.sub.2不是烷基羰基时，R.sub.2和R.sub.3与各自连接的氮原子一起形成从吡咯烷基、哌啶基、吗啉基和哌嗪基中选择的单环杂环基；或##STR3##其中整数m和p的总和等于3到5；且R.sub.4为含有1到4个碳原子的直链或支链较低烷基链；X为1到6的整数，但当R.sub.1为烷烃多基或1,2,3,4,5,6-环己烷六基时，X等于2到6，而当R.sub.1不是烷烃多基或1,2,3,4,5,6-环己烷六基时，X等于1。

  公开号：

  US04017514A1

文献信息

• Hypolipidemic agents
  申请人：Richardson-Merrell Inc.

  公开号：US04017514A1

  公开（公告）日：1977-04-12

  Substituted thiophenecarboxylic acids and esters and pharmaceutically acceptable salts thereof of the following general structure are useful as hypolipidemic agents: ##STR1## wherein R is selected from a straight or branched saturated hydrocarbon chain containing from 10 to 20 carbon atoms and a straight or branched unsaturated hydrocarbon chain containing from 10 to 20 carbon atoms and from 1 to 4 double bonds; R.sub.1 is selected from hydrogen, a straight or branched lower alkyl chain of from 1 to 6 carbon atoms, benzyl, phenethyl, pyridyl-methyl, alkane-poly-yl containing from 3 to 6 carbon atoms, 1,2,3,4,5,6-cyclohexanehexayl, and Z; Z is selected from ##STR2## wherein n is the integer 2 or 3; R.sub.2 is selected from a straight or branched lower alkyl chain of from 1 to 4 carbon atoms, and alkylcarbonyl wherein the alkyl moiety contains from 1 to 4 carbon atoms and may be straight or branched; R.sub.3 is selected from hydrogen and a straight or branched lower alkyl chain of from 1 to 4 carbon atoms with the proviso that when R.sub.3 is hydrogen, R.sub.2 is alkylcarbonyl; or when R.sub.2 is other than alkylcarbonyl, R.sub.2 and R.sub.3 taken together with the nitrogen atom to which each is attached form a monocyclic heterocyclic group selected from pyrrolidino, piperidino, morpholino, and piperazino; or ##STR3## wherein the sum of the integers m and p is equal to from 3 to 5; and R.sub.4 is a straight or branched lower alkyl chain of from 1 to 4 carbon atoms; X is an integer of from 1 to 6 with the proviso that when R.sub.1 is alkane-poly-yl or 1,2,3,4,5,6-cyclohexanehexayl, X is equal to from 2 to 6, and when R.sub.1 is other than alkane-poly-yl or 1,2,3,4,5,6-cyclohexanehexayl, X is equal to 1.

  取代的噻吩羧酸和酯以及以下一般结构的药学上可接受的盐可用作降脂药物：##STR1##其中R从含有10到20个碳原子的直链或支链饱和碳氢链和含有10到20个碳原子和1到4个双键的直链或支链不饱和碳氢链中选择；R.sub.1从氢、含有1到6个碳原子的直链或支链较低烷基链、苄基、苯乙基、吡啶基甲基、含有3到6个碳原子的烷烃多基、1,2,3,4,5,6-环己烷六基和Z中选择；Z从##STR2##中选择；其中n是整数2或3；R.sub.2从含有1到4个碳原子的直链或支链较低烷基链和烷基羰基中选择，其中烷基部分含有1到4个碳原子且可能是直链或支链；R.sub.3从氢和含有1到4个碳原子的直链或支链较低烷基链中选择，但当R.sub.3为氢时，R.sub.2为烷基羰基；或当R.sub.2不是烷基羰基时，R.sub.2和R.sub.3与各自连接的氮原子一起形成从吡咯烷基、哌啶基、吗啉基和哌嗪基中选择的单环杂环基；或##STR3##其中整数m和p的总和等于3到5；且R.sub.4为含有1到4个碳原子的直链或支链较低烷基链；X为1到6的整数，但当R.sub.1为烷烃多基或1,2,3,4,5,6-环己烷六基时，X等于2到6，而当R.sub.1不是烷烃多基或1,2,3,4,5,6-环己烷六基时，X等于1。
• US4011333A
  申请人：——

  公开号：US4011333A

  公开（公告）日：1977-03-08
• US4017514A
  申请人：——

  公开号：US4017514A

  公开（公告）日：1977-04-12
• Substituted thiophenecarboxylic acid and esters as hypolipidemic agents
  申请人：Richardson-Merrell Inc.

  公开号：US04011333A1

  公开（公告）日：1977-03-08

  Substituted thiophenecarboxylic acid and esters and pharmaceutically acceptable salts thereof of the following general structure are useful as hypolipidemic agents: ##STR1## wherein Y is selected from oxygen and divalent sulfur; R is selected from a straight or branched saturated hydrocarbon chain of from 10 to 20 carbon atoms and a straight or branched unsaturated hydrocarbon chain containing from 10 to 20 carbon atoms and from 1 to 4 double bonds; R.sub.1 is selected from hydrogen, a straight or branched lower alkyl group of from 1 to 6 carbon atoms, benzyl, phenethyl, alkane-poly-yl containing from 3 to 6 carbon atoms, and 1,2,3,4,5,6-cyclohexanehexayl; X is an integer of from 1 to 6 with the proviso that when R.sub.1 is alkane-poly-yl or 1,2,3,4,5,6-cyclohexanehexayl, X is equal to from 2 to 6, and when R.sub.1 is other than alkane-poly-yl or 1,2,3,4,5,6-cyclohexanehexayl, X is equal to 1.

  以下一般结构的硫代苯甲酸和酯及其药用可接受的盐可用作降脂药物： ##STR1## 其中Y从氧和二价硫中选择；R从由10到20个碳原子组成的直链或支链饱和碳氢链和由10到20个碳原子和1到4个双键组成的直链或支链不饱和碳氢链中选择；R.sub.1从氢、由1到6个碳原子组成的直链或支链低碳烷基、苄基、苯乙基、含有3到6个碳原子的烷基聚基和1,2,3,4,5,6-环己烷六基中选择；X是一个从1到6的整数，但当R.sub.1是烷基聚基或1,2,3,4,5,6-环己烷六基时，X等于2到6，当R.sub.1不是烷基聚基或1,2,3,4,5,6-环己烷六基时，X等于1。