4'-Fluor-4-<4-(diphenylmethylen)-piperidino>-butyrophenon | 43076-31-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4'-Fluor-4-<4-(diphenylmethylen)-piperidino>-butyrophenon
• 英文别名: 4-<4-(Diphenylmethylen)-piperidino>-4'-fluorbutyrophenon；4'-Fluoro-4-(4-diphenylmethylen-piperidino)-butyrophenon；4'-fluoro-4-(4-diphenylmethylenepiperidino)butyrophenone；4-(4-benzhydrylidenepiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
• CAS: 43076-31-9
• 化学式: C₂₈H₂₈FNO
• 分子量: 413.535
• InChiKey: ZARLGGUBQMTKSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-二苯基亚甲基哌啶 、 4-氯-4'-氟苯丁酮 在 potassium iodide 、 potassium hydrogencarbonate 作用下， 以 乙酸乙酯 、 甲苯 为溶剂， 生成 4'-Fluor-4-<4-(diphenylmethylen)-piperidino>-butyrophenon
  参考文献：
  名称：

  Olefinic 4-substituted piperidino derivatives as therapeutics

  摘要：

  新颖的化合物可用作抗组胺剂、抗过敏剂和支气管扩张剂，其化学式如下所示：其中R和R.sup.1分别代表氢原子；或者R和R.sup.1一起形成连接R和R.sup.1碳原子的第二键；n是从1到3的正整数；Y代表--CH.dbd.CH--，或者如下所示：在R和R.sup.1分别代表氢原子时，Y代表--CH.dbd.CH；当Y代表--CH.dbd.CH时，n等于1或2；Z代表噻吩基、苯基或取代苯基，其中取代苯基上的取代基可以连接在苯环的邻位、间位或对位，并且可以选择的取代基包括卤素、由1到4个碳原子组成的直链或支链低碳链烷基、由1到4个碳原子组成的低碳氧基基团、二(低)烷基胺基，或饱和的单环杂环基团，例如吡咯啉基、哌啶基、吗啉基或N-(低)烷基哌嗪基。此发明还包括上述化学式化合物的药学上可接受的酸盐和各种立体异构体。

  公开号：

  US04180583A1

文献信息

• Compositions and methods for the treatment of the symptoms of histamine
  申请人：Richardson-Merrell Inc.

  公开号：US03965257A1

  公开（公告）日：1976-06-22

  Novel compounds useful as antihistamine agents, antiallergy agents, and bronchodilators are represented by the following formula ##SPC1## Wherein R represents hydrogen or hydroxy; R.sup.1 represents hydrogen; or R and R.sup.1 taken together form a second bond between the carbon atoms bearing R and R.sup.1 ; n is a positive whole integer of from 1 to 3; Z represents thienyl, phenyl, or substituted phenyl wherein the substituents on the substituted phenyl may be attached at the ortho, meta, or para positions of the phenyl ring and are selected from halogen, a straight or branched lower alkyl chain of from 1 to 4 carbon atoms, a lower alkoxy group of from 1 to 4 carbon atoms, di(lower)alkylamino, or a saturated monocyclic heterocyclic group such as pyrrolidino, piperidino, morpholino, or N-(lower)alkylpiperazino. Pharmaceutically acceptable acid addition salts and individual optical isomers of compounds of the above formula are also included as a part of this invention.

  新化合物可用作抗组胺剂、抗过敏剂和支气管扩张剂，其化学式如下所示##SPC1##其中R代表氢或羟基；R.sup.1代表氢；或R和R.sup.1一起形成连接R和R.sup.1的碳原子之间的第二键；n是从1到3的正整数；Z代表噻吩基、苯基或取代苯基，其中取代苯基上的取代基可以连接在苯环的邻位、间位或对位，并且选择自卤素、由1到4个碳原子组成的直链或支链较低烷基链、由1到4个碳原子组成的较低烷氧基团、二(较低)烷基氨基，或饱和的单环杂环基，如吡咯啉基、哌啶基、吗啉基或N-(较低)烷基哌嗪基。本发明还包括上述化学式化合物的药学上可接受的酸盐和个别光学异构体。
• US3965257A
  申请人：——

  公开号：US3965257A

  公开（公告）日：1976-06-22
• US4180583A
  申请人：——

  公开号：US4180583A

  公开（公告）日：1979-12-25
• Olefinic 4-substituted piperidino derivatives as therapeutics
  申请人：Richardson-Merrell Inc.

  公开号：US04180583A1

  公开（公告）日：1979-12-25

  Novel compounds useful as antihistamine agents, antiallergy agents, and bronchodilators are represented by the following formula ##STR1## wherein R and R.sup.1 each represent hydrogen; or R and R.sup.1 taken together form a second bond between the carbon atoms bearing R and R.sup.1 ; n is a positive whole integer of from 1 to 3; Y represents --CH.dbd.CH--, or ##STR2## with the proviso that when each of R and R.sup.1 represents hydrogen, Y represents --CH.dbd.CH, and when Y represents --CH.dbd.CH, n is equal to 1 or 2; and Z represents thienyl, phenyl, or substituted phenyl wherein the substituents on the substituted phenyl may be attached at the ortho, meta, or para positions of the phenyl ring and are selected from halogen, a straight or branched lower alkyl chain of from 1 to 4 carbon atoms, a lower alkoxy group of from 1 to 4 carbon atoms, di(lower)-alkylamino, or a saturated monocyclic heterocyclic group such as pyrrolidino, piperidino, morpholino, or N-(lower)-alkylpiperazino. Pharmaceutically acceptable acid addition salts and individual geometric isomers of compounds of the above formula are also included as a part of this invention.

  新颖的化合物可用作抗组胺剂、抗过敏剂和支气管扩张剂，其化学式如下所示：其中R和R.sup.1分别代表氢原子；或者R和R.sup.1一起形成连接R和R.sup.1碳原子的第二键；n是从1到3的正整数；Y代表--CH.dbd.CH--，或者如下所示：在R和R.sup.1分别代表氢原子时，Y代表--CH.dbd.CH；当Y代表--CH.dbd.CH时，n等于1或2；Z代表噻吩基、苯基或取代苯基，其中取代苯基上的取代基可以连接在苯环的邻位、间位或对位，并且可以选择的取代基包括卤素、由1到4个碳原子组成的直链或支链低碳链烷基、由1到4个碳原子组成的低碳氧基基团、二(低)烷基胺基，或饱和的单环杂环基团，例如吡咯啉基、哌啶基、吗啉基或N-(低)烷基哌嗪基。此发明还包括上述化学式化合物的药学上可接受的酸盐和各种立体异构体。