1-iodoethyl 3-methylvalerate | 89296-67-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-iodoethyl 3-methylvalerate
• 英文别名: 1-Iodoethyl 3-methylpentanoate
• CAS: 89296-67-3
• 化学式: C₈H₁₅IO₂
• 分子量: 270.11
• InChiKey: KRYNADXNOFXJCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-iodoethyl 3-methylvalerate 、 7β-amino-3-[[[1-(2-dimethylaminoethyl)-1H-tetrazol-5-yl]thio]methyl]ceph-3-em-4-carboxylic acid dihydrochloride 在 potassium acetate 、 碳酸氢钠 作用下， 以 N-甲基乙酰胺 、 二氯甲烷 为溶剂， 生成 1-(3-methylpentanoyloxy)ethyl 7β-amino-3-[[[1-(2-dimethylaminoethyl)-1H-tetrazol-5-yl]thio]methyl]ceph-3-em-4-carboxylate.dihydrochloride
  参考文献：
  名称：

  Cephalosporin derivatives

  摘要：

  头孢菌素类衍生物的通式为：##STR1## 其中R1为甲基或乙基，R2为含有5至7个碳原子的直链或支链烷基，以及它们的药用可接受盐，这些衍生物作为对革兰氏阳性和阴性细菌均有效的口服抗生素剂，以及其制备方法和组成被提出。

  公开号：

  US04497809A1

文献信息

• 3-substituted vinyl cephalosporin derivatives
  申请人：Eisai Co., Ltd.

  公开号：US05151417A1

  公开（公告）日：1992-09-29

  3-Substituted vinyl cephalosporin derivatives represented by the following formula: ##STR1## wherein R.sup.1 represents a hydroxyl or lower alkoxyl group, X represents a nitrogen atom or a group represented by the formula --CH.dbd., R.sup.2 represents a carboxyl group or a carboxyl group protected with a protecting group, and R.sup.3 is as defined herein, and pharmaceutically acceptable salts thereof are potent antibacterial agents. Processes for their preparation, intermediates in such processes, and antibacterial compositions containing them as active ingredients are also described.

  3-取代乙烯基头孢菌素衍生物，其代表性结构式如下：##STR1##其中R1代表羟基或低级烷氧基，X代表氮原子或由公式--CH=表示的基团，R2代表羧基或由保护基团保护的羧基，R3如本文所定义，以及它们的药学上可接受的盐，是强效的抗菌剂。还描述了它们的制备方法、制备过程中的中间体以及含有它们作为活性成分的抗菌组合物。
• 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。
• 3-Substituted vinyl cephalosporin derivatives
  申请人：Eisai Co., Ltd.

  公开号：EP0408034A1

  公开（公告）日：1991-01-16

  3-Substituted vinyl cephalosporin derivatives represented by the following formula: wherein R1 represents a hydroxyl or lower alkoxyl group, X represents a nitrogen atom or a group represented by the formula -CH =, R2 represents a carboxyl group or a carboxyl group protected with a protecting group, and R3 is as defined herein, and pharmaoeutically acceptable salts thereof are potent antibacterial agents. Processes for their preparation, intermediates in such processes, and antibacterial compositions containing them as active ingredients are also described.

  3-由下式代表的取代乙烯基头孢菌素衍生物： 其中 R1 代表羟基或低级烷氧基，X 代表氮原子或由式 -CH = 代表的基团，R2 代表羧基或由保护基团保护的羧基，R3 如本文所定义，其药用盐是强效抗菌剂。此外，还介绍了制备它们的工艺、这些工艺的中间体以及含有它们作为活性成分的抗菌组合物。
• US4497809A
  申请人：——

  公开号：US4497809A

  公开（公告）日：1985-02-05
• US4593115A
  申请人：——

  公开号：US4593115A

  公开（公告）日：1986-06-03