1-chloro-2-methylpropyl cyclohexanecarboxylate | 95579-35-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-chloro-2-methylpropyl cyclohexanecarboxylate
• 英文别名: (1-Chloro-2-methylpropyl) cyclohexanecarboxylate
• CAS: 95579-35-4
• 化学式: C₁₁H₁₉ClO₂
• 分子量: 218.724
• InChiKey: XEYHXETVNPSUIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Cephalosporin esters, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0128027A2

  公开（公告）日：1984-12-12

  A compound of the formula wherein (1) R1 is a lower alkyl group of 2 to 6 carbon atoms or a cycloalkyl group of 5 to 7 carbon atoms and R2 is a cycloalkyl group of 5 to 7 carbon atoms or a lower alkyl group of 1 to 3 carbon atoms which is substituted by a cycloalkyl group of 5 to 7 carbon atoms or by a phenyl group, or (2) R, is a cycloalkyl group of 5 to 7 carbon atoms and R2 is a lower alkyl group of 1 to 5 carbon atoms, or a pharmaceutically acceptable salt thereof, processes for preparing the same and a pharmaceutical composition thereof are provided. The compound can orally be applied as antibiotics having improved bioavailability.

  提供了一种式中 (1) R1 为 2 至 6 个碳原子的低级烷基或 5 至 7 个碳原子的环烷基，R2 为 5 至 7 个碳原子的环烷基或 1 至 3 个碳原子的低级烷基，被 5 至 7 个碳原子的环烷基或苯基取代的化合物，或 (2) R 为 5 至 7 个碳原子的环烷基，R2 为 1 至 5 个碳原子的低级烷基的化合物，或其药学上可接受的盐、制备方法及其药物组合物。 该化合物可作为抗生素口服应用，具有更好的生物利用度。
• Method for producing 1-iodoalkyl acylates
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0143601A2

  公开（公告）日：1985-06-05

  1-lodoalkyl acylates, which are useful as raw materials for the esterification of cephalosporins and penicillins, are prepared in a high degree of purity and in high yield by reacting a carboxylic acid iodide with an aldehyde. The carboxylic acid iodide may be prepared in situ by reacting a carboxylic acid chloride with a salt of hydriodic acid and then reacting the resulting product with an aldehyde, or by simultaneously reacting a carboxylic acid chloride, a salt of hydriodic acid Iand an aldehyde with one another.

  1-lodoalkyl acylates 可作为头孢菌素和青霉素酯化反应的原料，通过羧酸碘化物与醛反应制备，纯度高，产率高。羧酸碘化物可以通过羧酸氯化物与氢碘酸盐反应，然后将生成物与醛反应，或者通过羧酸氯化物、氢碘酸盐和醛同时相互反应来就地制备。
• US4593115A
  申请人：——

  公开号：US4593115A

  公开（公告）日：1986-06-03
• US4797395A
  申请人：——

  公开号：US4797395A

  公开（公告）日：1989-01-10