1-iodoethyl 2-cyclohexylacetate | 91871-83-9

• 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-iodoethyl 2-cyclohexylacetate
• 英文别名: 1-iodoethyl cyclohexylacetate；1-cyclohexylacetoxyethyl iodide
• CAS: 91871-83-9
• 化学式: C₁₀H₁₇IO₂
• 分子量: 296.148
• InChiKey: PVIHJWKNVLCYHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 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 2-cyclohexylacetate 、 Sodium 7-[(Z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetamido]-3-[(Z)-3-carbamoyloxy-1-propenyl]-3-cephem-4-carboxylate 在 magnesium sulfate 作用下， 以 N-甲基乙酰胺 、 正己烷 、 乙酸乙酯 为溶剂， 生成 1-(Cyclohexylacetyloxy)ethyl 7-[(Z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetamido]-3-[(Z)-3-carbamoyloxy-1-propenyl]-3-cephem-4-carboxylate
  参考文献：
  名称：

  3-substituted vinyl cephalosporin derivatives

  摘要：

  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。

  公开号：

  US05151417A1

文献信息

• Cephalosporin esters
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0109294A2

  公开（公告）日：1984-05-23

  A compound of the formula wherein m is an integer of 0 or 1; n is an integer of 2 to 5, inclusive, or its pharmaceutically acceptable salt, which is effective as orally administrable antibiotic agents against both gram-positive- and -negative-bacteria, and the production and compositions thereof, are proposed.

  一种式子为 其中 m 为 0 或 1 的整数；n 为 2 至 5（含）的整数，或其药学上可接受的盐，作为口服抗生素制剂对革兰氏阳性菌和阴性菌均有效。
• 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)propenyl-7-(aminothiazolylacetamido)ceph-3-em-4-carboxylic acids and esters thereof
  申请人：Bristol-Myers Squibb Company

  公开号：EP0304036A2

  公开（公告）日：1989-02-22

  This invention provides novel cephalosporanic acids and esters thereof having the general formula wherein R² is hydrogen, or lower acyl, R³ is hydrogen, or lower alkanoyloxy, and R⁴ is hydrogen, 5-methyl-2-oxo-1,3-dioxolen-4-ylmelthyl, 1-(ethoxycarbonyloxy)ethyl,1-(pivaloyloxy)ethyl, 1-(cyclohexylacetoxy)ethyl, or 1-(cyclohexyloxycarbonyloxy) ethyl. These compounds, especially esters, are useful as broad spectrum antibiotics in the treatment and prevention of infectious diseases of mammals, and for other purposes known in the art. The acids (R⁴ is hydrogen) are useful as intermediates for making the esters.

  本发明提供了通式如下的新型头孢烷酸及其酯类 其中 R² 是氢或低级酰基，R³ 是氢或低级烷酰氧基，以及 R⁴是氢、5-甲基-2-氧代-1,3-二氧戊烯-4-基巯基、1-（乙氧基羰基氧基）乙基、1-（新戊酰氧基）乙基、1-（环己基乙酰氧基）乙基或 1-（环己基氧基羰基氧基）乙基。这些化合物，尤其是酯类，可作为广谱抗生素用于治疗和预防哺乳动物的传染性疾病，也可用于本领域已知的其他用途。酸（R⁴ 为氢）可用作制造酯的中间体。
• 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。
• US4593115A
  申请人：——

  公开号：US4593115A

  公开（公告）日：1986-06-03