5-(2-benzyloxy-ethyl)-1-ethyl-2-oxo-cyclohexanecarboxylic acid methyl ester | 628731-62-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-(2-benzyloxy-ethyl)-1-ethyl-2-oxo-cyclohexanecarboxylic acid methyl ester
• 英文别名: methyl 1-ethyl-2-oxo-5-(2-phenylmethoxyethyl)cyclohexane-1-carboxylate
• CAS: 628731-62-4
• 化学式: C₁₉H₂₆O₄
• 分子量: 318.413
• InChiKey: HGMSCFRQKUQYIR-UHFFFAOYSA-N

物化性质

• 沸点：
  416.9±35.0 °C(Predicted)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(2-benzyloxy-ethyl)-1-ethyl-2-oxo-cyclohexanecarboxylic acid methyl ester 在 氢氧化钾 、 草酰氯 、 氰化钠 、 氨 、 sodium 、 magnesium sulfate 、 对甲苯磺酸 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 二甲基亚砜 、 苯 为溶剂， 反应 38.5h， 生成 4-(3-ethyl-4-methyl-cyclohex-3-enylmethyl)-1,3-dihydro-imidazole-2-thione
  参考文献：
  名称：

  [EN] 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS
  [FR] IMIDAZOLE-2-ONES ET IMIDAZOLE-2-THIONES 4 SUBSTITUES COMME AGONISTES DES ADRENO-RECEPTEURS ALPHA-2B ET ALPHA-2C

  摘要：

  式(I)的化合物：其中X为S，变量的含义如规范中定义的那样，对alpha2B和/或alpha2C肾上腺素受体具有特异性或选择性，优先于alpha2A肾上腺素受体，并且因此具有无或仅有极小的心血管和/或镇静活性。这些式(I)的化合物在哺乳动物，包括人类中，作为药物用于治疗对alpha2B肾上腺素受体激动剂治疗有响应的疾病和/或缓解症状是有用的。式(I)的化合物，其中X为O，还具有有利的特性，即它们具有无或仅有极小的心血管和/或镇静活性，并且适用于治疗无或仅有极小的心血管和/或镇静活性的疼痛和其他症状。

  公开号：

  WO2003099795A1
• 作为产物：
  描述：

  4-(2-苄氧基乙基)环己酮 在 六甲基磷酰三胺 、 sodium methylate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 49.0h， 生成 5-(2-benzyloxy-ethyl)-1-ethyl-2-oxo-cyclohexanecarboxylic acid methyl ester
  参考文献：
  名称：

  [EN] 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS
  [FR] IMIDAZOLE-2-ONES ET IMIDAZOLE-2-THIONES 4 SUBSTITUES COMME AGONISTES DES ADRENO-RECEPTEURS ALPHA-2B ET ALPHA-2C

  摘要：

  式(I)的化合物：其中X为S，变量的含义如规范中定义的那样，对alpha2B和/或alpha2C肾上腺素受体具有特异性或选择性，优先于alpha2A肾上腺素受体，并且因此具有无或仅有极小的心血管和/或镇静活性。这些式(I)的化合物在哺乳动物，包括人类中，作为药物用于治疗对alpha2B肾上腺素受体激动剂治疗有响应的疾病和/或缓解症状是有用的。式(I)的化合物，其中X为O，还具有有利的特性，即它们具有无或仅有极小的心血管和/或镇静活性，并且适用于治疗无或仅有极小的心血管和/或镇静活性的疼痛和其他症状。

  公开号：

  WO2003099795A1

文献信息

• 4-(2-Methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2B agonist and methods of using the same
  申请人：Heidelbaugh M. Todd

  公开号：US20050075366A1

  公开（公告）日：2005-04-07

  The compound of the formula wherein the * indicates an asymmetric carbon, is specific to alpha 2B adrenergic receptors in preference over alpha 2A and alpha 2C adrenergic receptors, and as such has no or only minimal cardivascular and/or sedatory activity. The compound is useful as medicament in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors.

  该化学式的化合物，其中*表示一个不对称碳原子，对α2B肾上腺素受体具有特异性，优先于α2A和α2C肾上腺素受体，因此几乎没有或仅有极小的心血管和/或镇静活性。该化合物可用作哺乳动物，包括人类，治疗对α2B肾上腺素受体激动剂治疗敏感的疾病和/或缓解症状的药物。
• 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds
  申请人：——

  公开号：US20040220402A1

  公开（公告）日：2004-11-04

  Compounds of Formula 1 1 where X is S and the variables have the meaning defined in the specification are specific or selective to alpha 2B and/or alpha 2C adrenergic receptors in preference over alpha 2A adrenergic receptors, and as such have no or only minimal cardivascular and/or sedatory activity. These compounds of Formula 1 are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors. Compounds of Formula 1 where X is O also have the advantageous property that they have no or only minimal cardivascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardivascular and/or sedatory activity.

  式11的化合物，其中X为S，变量的含义如规范中所定义的，对alpha2B和/或alpha2C肾上腺素受体具有特异性或选择性，而不是对alpha2A肾上腺素受体具有特异性，因此在心血管和/或镇静作用方面几乎没有或仅有最小的活性。这些式1的化合物在哺乳动物，包括人类中，用作治疗对alpha2B肾上腺素受体激动剂治疗有响应的疾病和/或缓解条件的药物。其中X为O的式1的化合物也具有有利的特性，即它们在心血管和/或镇静活性方面几乎没有或仅有最小的活性，并且可用于治疗疼痛和其他在心血管和/或镇静活性方面几乎没有或仅有最小的活性的疾病。
• 4-(Substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4- (substituted cycloalkylmethyl) imidazol-2-ones and 4- (substituted cycloalkenylmethyl) imidazol-2-ones and related compounds
  申请人：Chow Ken

  公开号：US20050267186A1

  公开（公告）日：2005-12-01

  Compounds of Formula 1 where X is S and the variables have the meaning defined in the specification are specific or selective to alpha 2B and/or alpha 2C adrenergic receptors in preference over alpha 2A adrenergic receptors, and as such have no or only minimal cardivascular and/or sedatory activity. These compounds of Formula 1 are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors. Compounds of Formula 1 where X is O also have the advantageous property that they have no or only minimal cardivascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardivascular and/or sedatory activity.

  公式1的化合物，其中X为S，变量的含义在规范中定义，对alpha2B和/或alpha2C肾上腺素受体具有特异性或选择性，而对alpha2A肾上腺素受体的优先性较低，因此没有或仅有最小的心血管和/或镇静活性。这些公式1的化合物在哺乳动物，包括人类中作为药物治疗对alpha2B肾上腺素受体激动剂响应性疾病和/或缓解症状非常有用。当X为O时，公式1的化合物也具有无或仅有最小的心血管和/或镇静活性的优越特性，并且对于治疗无或仅有最小心血管和/或镇静活性的疼痛和其他症状也非常有用。
• 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2- thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cyloalkenylmethyl) imidazol-2-ones and related compounds
  申请人：Chow Ken

  公开号：US20060149072A1

  公开（公告）日：2006-07-06

  Compounds of Formula 1 where X is S and the variables have the meaning defined in the specification are specific or selective to alpha 2B and/or alpha 2C adrenergic receptors in preference over alpha 2A adrenergic receptors, and as such have no or only minimal cardivascular and/or sedatory activity. These compounds of Formula 1 are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors. Compounds of Formula 1 where X is O also have the advantageous property that they have no or only minimal cardivascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardivascular and/or sedatory activity.

  式1的化合物中，其中X为S且变量具有规范中定义的含义，具有对α2B和/或α2C肾上腺素受体的特异性或选择性，而相对于α2A肾上腺素受体，具有无或仅极小的心血管和/或镇静作用。这些式1的化合物在哺乳动物中，包括人类，用于治疗对α2B肾上腺素受体激动剂敏感的疾病和/或缓解情况，具有有用的药物作用。其中X为O的式1化合物也具有有利的特性，即它们无或仅具有极小的心血管和/或镇静作用，并且可用于治疗无或仅具有极小的心血管和/或镇静作用的疼痛和其他情况。
• 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOL-2-ONES AND 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOL-2-ONES AND RELATED COMPOUNDS
  申请人：Chow Ken

  公开号：US20070072926A1

  公开（公告）日：2007-03-29

  Compounds of Formula 1 where X is S and the variables have the meaning defined in the specification are specific or selective to alpha 2B and/or alpha 2C adrenergic receptors in preference over alpha 2A adrenergic receptors, and as such have no or only minimal cardivascular and/or sedatory activity. These compounds of Formula 1 are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors. Compounds of Formula 1 where X is O also have the advantageous property that they have no or only minimal cardivascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardivascular and/or sedatory activity.

  式1中X为S且变量的含义已在说明书中定义，这些化合物具有特异性或选择性作用于α2B和/或α2C肾上腺素受体，而不是α2A肾上腺素受体，因此它们没有或仅有最小的心血管和/或镇静活性。这些式1的化合物可用作哺乳动物，包括人类的药物，用于治疗对α2B肾上腺素受体激动剂有反应的疾病和/或缓解条件。式1中X为O的化合物还具有优越的特性，即它们没有或仅有最小的心血管和/或镇静活性，可用于治疗无或仅有最小心血管和/或镇静活性的疼痛和其他病症。