4-(Chloromethyl)-4-hydroxy-1-octyne | 73397-45-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(Chloromethyl)-4-hydroxy-1-octyne
• 英文别名: 4-chloromethyl-4-hydroxy-1-octyne；4-(chloromethyl)oct-1-yn-4-ol
• CAS: 73397-45-2
• 化学式: C₉H₁₅ClO
• 分子量: 174.671
• InChiKey: GOURUWPKJVERQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  三甲基氯硅烷 、 4-(Chloromethyl)-4-hydroxy-1-octyne 在 咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到4-(Chloromethyl)-4-((trimethylsilyl)oxy)-1-octyne
  参考文献：
  名称：

  Prostaglandins and congeners. 27. Synthesis of biologically active 16-halomethyl derivatives of 15-deoxy-16-hydroxyprostaglandin E2

  摘要：

  DOI：

  10.1021/jo01300a002
• 作为产物：
  描述：

  1-hydroxyhexan-2-one 在 magnesium 、 甲基磺酰氯 、 mercury dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 4-(Chloromethyl)-4-hydroxy-1-octyne
  参考文献：
  名称：

  Prostaglandins and congeners. 27. Synthesis of biologically active 16-halomethyl derivatives of 15-deoxy-16-hydroxyprostaglandin E2

  摘要：

  DOI：

  10.1021/jo01300a002

文献信息

• 1-Substituted-1-oxo-prostane-derivatives of the E, A and F series
  申请人：American Cyanamid Company

  公开号：US04297516A1

  公开（公告）日：1981-10-27

  The invention disclosed herein relates to pharmacologically active prostaglandin derivatives of the E, F, or A series having on the terminal methylene carbon of the alpha chain, a substituent selected from the group consisting of: ##STR1## wherein R is C.sub.1 to C.sub.6 alkyl, and phenyl or phenyl substituted with one or more substituents selected from the group consisting of C.sub.1 -C.sub.4 alkyl, OR.sub.16, SR.sub.16, F, or Cl, and R.sub.16 is C.sub.1 to C.sub.6 alkyl.

  本发明公开的药物活性前列腺素衍生物属于E、F或A系列，在α链的末端亚甲基碳上有一个取代基，该取代基从以下组中选择：##STR1## 其中R是C.sub.1至C.sub.6烷基，和苯基或苯基，苯基上带有1个或多个取代基，该取代基从以下组中选择：C.sub.1-C.sub.4烷基，OR.sub.16，SR.sub.16，F或Cl，R.sub.16是C.sub.1至C.sub.6烷基。
• 1-Hydroxymethyl-1-oxo-prostane-derivatives of the E, A and F-series
  申请人：American Cyanamid Company

  公开号：US04254036A1

  公开（公告）日：1981-03-03

  The invention disclosed herein relates to pharmacologically active prostaglandin derivatives of the E, F, or A series having on the terminal methylene carbon of the alpha chain a substituent selected from the group consisting of: ##STR1## wherein R is an alkyl group and R.sub.15 is C.sub.1 -C.sub.4 alkyl, di-C.sub.1 -C.sub.4 -alkylamino, C.sub.1 -C.sub.4 alkoxy, and phenyl or phenyl substituted with one or more substituents from the group consisting of C.sub.1 -C.sub.4, OR, SR, F, or Cl wherein R is as previously defined.

  本发明涉及具有在α链的末端亚甲基碳上选择自以下组成的取代基的E、F或A系列药理活性前列腺素衍生物：##STR1##其中R是烷基基团，R.sub.15是C.sub.1 -C.sub.4烷基，二C.sub.1 -C.sub.4-烷基氨基，C.sub.1 -C.sub.4烷氧基，苯基或苯基，其上取代基来自C.sub.1 -C.sub.4，OR，SR，F或Cl的组成，其中R如前所定义。
• 15-Deoxy-16-hydroxy-16-chloromethyl or bromomethyl prostaglandins of the
  申请人：American Cyanamid Company

  公开号：US04227011A1

  公开（公告）日：1980-10-07

  The invention disclosed herein relates to pharmacologically active prostaglandins of the E and F series in which C-16 is substituted with hydroxyl and chloromethyl or bromomethyl as well as the pharmacologically acceptable, nontoxic lower alkyl esters and salts thereof, and to the intermediates and processes for producing such compounds.

  本发明涉及具有药理活性的E和F系列前列腺素，其中C-16被羟基和氯甲基或溴甲基取代，以及这些化合物的药理学上可接受的、无毒的低烷基酯和盐，以及用于生产这些化合物的中间体和过程。
• 1-Hydroxymethyl-1-oxo-prostane derivatives of the E, A and F series
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0015056A1

  公开（公告）日：1980-09-03

  The invention disclosed relates to pharmacologically active prostaglandin derivates of the E, F, or A series having on the terminal methylene carbon of the alpha chain a substituent selected from the group consisting of: wherein R is an alkyl group and R13 is C1-C4 alkyl, di-C,-C. -alkylamino, C1-C4 alkoxy, and phenyl or phenyl substituted with one or more substituents from the group consisting of C1-C4, OR, SR, F, or Cl wherein R is as previously defined.

  本发明涉及具有药理活性的 E、F 或 A 系列前列腺素衍生物，其 α 链的末端亚甲基碳上具有选自以下组别的取代基： 其中 R 是烷基，R13 是 C1-C4 烷基、二-C,-C.-烷基氨基、C1-C4 烷氧基和苯基或被一个或多个取代基取代的苯基，取代基可从 C1-C4、OR、SR、F 或 Cl 组成的组中选出，其中 R 如前定义。
• US4254036A
  申请人：——

  公开号：US4254036A

  公开（公告）日：1981-03-03