7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-1-yl 4-methylbenzensulfonate | 228570-10-3

• 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: 7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-1-yl 4-methylbenzensulfonate
• 英文别名: 7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-dodecyl tosylate；7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl 4-methylbenzenesulfonate
• CAS: 228570-10-3
• 化学式: C₁₉H₁₉F₁₃O₃S
• 分子量: 574.403
• InChiKey: QQZCKFYPLAMXLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  36
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-1-yl 4-methylbenzensulfonate 在 甲胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 methyl-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-dodecyl)-amine
  参考文献：
  名称：

  11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS

  摘要：

  这项发明描述了一种新的11&bgr;-卤素-7&agr;-取代的雌三烯类化合物，其一般化学式为I1，其中R11是氟或氯原子，其他取代基的含义在描述中有更详细的解释。这些化合物具有抗雌激素作用或组织选择性雌激素作用，并适用于制备药物。

  公开号：

  US20030069434A1
• 作为产物：
  描述：

  1-溴全氟乙烷 、 hex-5-enyl 4-methylbenzenesulfonate 在 Eosin Y 、 水 、 sodium thiosulfate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 17.0h， 以50%的产率得到7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-1-yl 4-methylbenzensulfonate
  参考文献：
  名称：

  Metal-Free Visible Light Hydroperfluoroalkylation of Unactivated Alkenes Using Perfluoroalkyl Bromides

  摘要：

  Organic dye-catalyzed visible light induced hydroperfluoroalkylation of unactivated alkenes is described. Hydroperfluoroalkylation proceeds selectively and is applicable for various perfluoroalkyl bromide and alkenes including internal alkenes. The reaction mechanism is discussed, and it is shown that the hydrogen source varies with reaction conditions.

  DOI：

  10.1021/acs.orglett.8b03596

文献信息

• 11&bgr;-HALOGEN-7&agr;-SUBSTITUTED ESTRATRIENES, PROCESS FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS THAT CONTAIN THESE 11&bgr;-HALOGEN-7&agr;-SUBSTITUTED ESTRATRIENES AS WELL AS THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS
  申请人：Schering Aktiengesellschaft

  公开号：US06780855B2

  公开（公告）日：2004-08-24

  This invention describes the new 11&bgr;-halogen-7&agr;-substituted estratrienes of general formula I in which R11 is a fluorine or chlorine atom, and the other substituents have the meanings that are explained in more detail in the description. The compounds have antiestrogenic properties or tissue-selective estrogenic properties and are suitable for the production of pharmaceutical agents.

  本发明描述了一种新的11β-卤代-7α-取代雌三烯的一般式I，其中R11是氟或氯原子，其他取代基的含义在描述中有更详细的解释。这些化合物具有抗雌激素性质或组织选择性雌激素性质，适用于制备制药剂。
• US6780855B2
  申请人：——

  公开号：US6780855B2

  公开（公告）日：2004-08-24
• Metal-Free Visible Light Hydroperfluoroalkylation of Unactivated Alkenes Using Perfluoroalkyl Bromides
  作者：Tomoko Yajima、Satsuki Shigenaga

  DOI：10.1021/acs.orglett.8b03596

  日期：2019.1.4

  Organic dye-catalyzed visible light induced hydroperfluoroalkylation of unactivated alkenes is described. Hydroperfluoroalkylation proceeds selectively and is applicable for various perfluoroalkyl bromide and alkenes including internal alkenes. The reaction mechanism is discussed, and it is shown that the hydrogen source varies with reaction conditions.
• 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS
  申请人：——

  公开号：US20030069434A1

  公开（公告）日：2003-04-10

  This invention describes the new 11&bgr;-halogen-7&agr;-substituted estratrienes of general formula I 1 in which R 11 is a fluorine or chlorine atom, and the other substituents have the meanings that are explained in more detail in the description. The compounds have antiestrogenic properties or tissue-selective estrogenic properties and are suitable for the production of pharmaceutical agents.

  这项发明描述了一种新的11&bgr;-卤素-7&agr;-取代的雌三烯类化合物，其一般化学式为I1，其中R11是氟或氯原子，其他取代基的含义在描述中有更详细的解释。这些化合物具有抗雌激素作用或组织选择性雌激素作用，并适用于制备药物。