N-methyl-(5-tetrahydropyranyloxypentyl)-phenylsulfoximine | 70398-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: N-methyl-(5-tetrahydropyranyloxypentyl)-phenylsulfoximine
• 英文别名: Methylimino-[5-(oxan-2-yloxy)pentyl]-oxo-phenyl-lambda6-sulfane；methylimino-[5-(oxan-2-yloxy)pentyl]-oxo-phenyl-λ6-sulfane
• CAS: 70398-78-6
• 化学式: C₁₇H₂₇NO₃S
• 分子量: 325.472
• InChiKey: HUCZYQRHWIGNDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one 、 N-methyl-(5-tetrahydropyranyloxypentyl)-phenylsulfoximine 生成 (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-[1-(N-methyl-S-phenylsulfonimidoyl)-5-(oxan-2-yloxy)pentyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
  参考文献：
  名称：

  MORTON, DOUGLAS R. , JR.

  摘要：

  DOI：
• 作为产物：
  描述：

  S-甲基-S-苯基-N-甲基亚砜亚胺 、 2-(4-溴丁氧基)四氢-2H-吡喃 生成 N-methyl-(5-tetrahydropyranyloxypentyl)-phenylsulfoximine
  参考文献：
  名称：

  MORTON, DOUGLAS R. , JR.

  摘要：

  DOI：

文献信息

• Methano carbacyclin analogs
  申请人：The Upjohn Company

  公开号：US04349689A1

  公开（公告）日：1982-09-14

  The present specification provides novel analogs of carbacyclin (CBA.sub.2), 6a-carba-prostacyclin (6a-carba-PGI.sub.2), which have pronounced prostacyclin-like pharmacological activity, e.g., as platelet anti-aggregatory agents. Specifically the novel chemical analogs of CBA.sub.2 are those substituted by fluoro (C-5), alkyl (C-9), interphenylene (C-5), and methano (C-6a,9). Further provided are benzindene analogs of CBA.sub.2 and substituted forms thereof, i.e., 9-deoxy-2',9-methano (or 2',9-metheno)-3-oxa-4,5,6-trinor-3,7-(1',3'-interphenylene)-PGF.sub.1 compounds. Also provided are a variety of novel chemical intermediates, e.g., substituted bicyclo[3.3.0]octane intermediates, and chemical process utilizing such intermediates which are useful in the preparation of the novel CBA.sub.2 analogs.

  本规范提供了卡巴环素（CBA.sub.2）的新型类似物，6a-卡巴-前列环素（6a-卡巴-PGI.sub.2），具有明显的前列环素样药理活性，例如作为血小板抗聚集剂。具体而言，CBA.sub.2的新型化学类似物是那些被氟（C-5）、烷基（C-9）、间苯（C-5）和甲烷（C-6a,9）取代的化合物。此外，还提供了CBA.sub.2的苯并二环类似物及其取代形式，即9-去氧-2',9-甲烷（或2',9-甲烯）-3-氧-4,5,6-三去氧-3,7-(1',3'-间苯)-PGF.sub.1类化合物。还提供了各种新型化学中间体，例如取代的双环[3.3.0]辛烷中间体，以及利用这些中间体的化学过程，这些中间体在制备新型CBA.sub.2类似物时非常有用。
• Composition and process
  申请人：The Upjohn Company

  公开号：US04420632A1

  公开（公告）日：1983-12-13

  The present specification provides novel analogs of carbacyclin (CBA.sub.2), 6a-carba-prostacyclin (6a-carba-PGI.sub.2), which have pronounced prostacyclin-like pharmacological activity, e.g., as platelet antiaggregatory agents. Specifically the novel chemical analogs of CBA.sub.2 are those substituted by fluoro (C-5), alkyl (C-9), interphenylene (C-5), and methano (C-6a,9). Further provided are benzindene analogs of CBA.sub.2 and substituted forms thereof, i.e., 9-deoxy-2',9-methano (or 2',9-metheno)-3-oxa-4,5,6-trinor-3,7-(1',3'-interphenylene)-PGF.sub.1 compounds. Also provided are a variety of novel chemical intermediates, e.g., substituted bicyclo[3.3.0]octane intermediates, and chemical process utilizing such intermediates which are useful in the preparation of the novel CBA.sub.2 analogs.

  本规范提供了新型的卡巴环烯（CBA.sub.2）、6a-卡巴-前列环素（6a-卡巴-PGI.sub.2）的类似物，具有明显的前列环素样药理活性，例如作为血小板抗聚集剂。具体而言，CBA.sub.2的新型化学类似物是那些被氟（C-5）、烷基（C-9）、间苯（C-5）和甲基（C-6a,9）取代的化合物。此外还提供了CBA.sub.2的苯并二烯类似物及其取代形式，即9-去氧-2',9-甲基（或2',9-亚甲基）-3-氧-4,5,6-三脱-3,7-(1',3'-间苯)-PGF.sub.1化合物。还提供了多种新型化学中间体，例如取代的双环[3.3.0]辛烷中间体，以及利用这些中间体的化学过程，这些中间体在制备新型CBA.sub.2类似物中非常有用。
• MORTON, DOUGLAS R. , JR.
  作者：MORTON, DOUGLAS R. , JR.

  DOI：——

  日期：——
• MORTON, DOUGLAS R. (JR)
  作者：MORTON, DOUGLAS R. (JR)

  DOI：——

  日期：——
• US4306075A
  申请人：——

  公开号：US4306075A

  公开（公告）日：1981-12-15