4,4,5,5,5-pentafluoropentylsulfonyl chloride | 212190-21-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 磺酰卤
• 英文名称: 4,4,5,5,5-pentafluoropentylsulfonyl chloride
• 英文别名: 4,4,5,5,5-pentafluoropentanesulfonyl chloride；4,4,5,5,5-pentafluoropentane-1-sulfonyl chloride
• CAS: 212190-21-1
• 化学式: C₅H₆ClF₅O₂S
• 分子量: 260.612
• InChiKey: HIBCLNVAFPUNEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,4,5,5,5-pentafluoropentylsulfonyl chloride 在 三溴化硼 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4,4,5,5,5-Pentafluoro-N-[9-[(3S,4S)-7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonyl]pentane-1-sulfonamide
  参考文献：
  名称：

  Discovery of thiochroman derivatives bearing a carboxy-containing side chain as orally active pure antiestrogens

  摘要：

  In order to search for alternatives to the sulfoxide moiety in the long side chain of pure antiestrogens, several molecules that may interact with water in a fashion similar to ICI164,384 were designed and it was found that compounds with the carboxy, the sulfamide, or the sulfonamide instead of the sulfoxide moiety also functioned as pure antiestrogens. Interestingly, the compound possessing the carboxy moiety showed superior antiestrogen activity compared to ICI182,780 when dosed orally. Results of the pharmacokinctic evaluation indicated that the potent antiestrogen activity at oral dosing attributed to both the improved absorption from the intestinal wall and the metabolic stability of the compound in liver. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.090
• 作为产物：
  描述：

  1,1,1,2,2-pentafluoro-5-bromopentane 在 sodium sulfite 、 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 水 、 苯 为溶剂， 反应 17.0h， 生成 4,4,5,5,5-pentafluoropentylsulfonyl chloride
  参考文献：
  名称：

  Benzopyran or thiobenzopyran derivatives

  摘要：

  本发明提供了新颖的苯并吡喃化合物，其药学上可接受的盐及其立体异构体，其中本发明的苯并吡喃化合物是根据式I的化合物：本发明还提供了具有抗雌激素活性的药物组合物，包括本发明的至少一种苯并吡喃化合物，并通过给予本发明提供的苯并吡喃化合物的有效量来治疗乳腺癌的方法。

  公开号：

  US06645951B1

文献信息

• Novel imidazotriazinones and the use thereof
  申请人：——

  公开号：US20040097498A1

  公开（公告）日：2004-05-20

  Novel imidazotrizinones of general formula (I), a method for the production and the pharmaceutical use thereof are disclosed.

  新型咪唑三唑酮的一般化学式（I），以及其生产方法和药用方法。
• Novel benzopyran or thiobenzopyran derivatives
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US20040102479A1

  公开（公告）日：2004-05-27

  The present invention relates to a novel benzopyran or thiobenzopyran derivative represented by formula (1): pharmaceutically acceptable salt or stereoisomer thereof, in which X, R 1 , R 2 , R 3 , R 4 and A are defined as described in the specification, and to a process for preparation thereof and a pharmaceutical composition having anti-estrogenic activity which contains the compound (1) as an active component.

  本发明涉及一种由式（1）表示的新型苯并吡喃或硫代苯并吡喃衍生物：其药学上可接受的盐或立体异构体，其中X，R1，R2，R3，R4和A的定义如说明书中所述，以及制备过程和具有抗雌激素活性的制剂，其含有化合物（1）作为活性成分。
• 7H-dibenzo[b,g][1,5]dioxocin-5-one derivatives and use thereof
  申请人：Bischoff Hilmar

  公开号：US20060247303A1

  公开（公告）日：2006-11-02

  The present invention relates to substituted 7H-dibenzo[b,g][1,5]dioxocin-5-one-derivatives, to processes for their preparation and to their use in medicaments, in particular as inhibitors of the cholesterol ester transfer protein (CETP) for the treatment and/or prevention of cardiovascular disorders, in particular hypolipoproteinaemia, dyslipidaemias, hypertriglyceridaemias, hyperlipidaemias and arteriosclerosis.

  本发明涉及取代的7H-二苯并[b，g][1,5]二氧杂环戊烷-5-酮衍生物，其制备过程以及它们在药物中的应用，特别是作为胆固醇酯转移蛋白（CETP）的抑制剂，用于治疗和/或预防心血管疾病，特别是低脂蛋白血症，脂质代谢异常，高三酰甘油血症，高脂血症和动脉硬化。
• Metal-Free Chemoselective <i>S</i>-Arylation of Sulfenamides To Access Sulfilimines
  作者：Xianda Wu、Yuqing Li、Minghong Chen、Fu-Sheng He、Jie Wu

  DOI：10.1021/acs.joc.3c00961

  日期：2023.7.7

  A novel and efficient S-arylation of sulfenamides with diaryliodonium salts for the synthesis of sulfilimines is developed. The reaction proceeds smoothly under transition-metal-free and air conditions, giving rapid access to sulfilimines in good to excellent yields via selective S–C bond formation. This protocol is scalable and exhibits a broad substrate scope, good functional group tolerance, and

  开发了一种新颖且有效的亚磺酰胺与二芳基碘鎓盐的S-芳基化反应，用于合成硫亚胺。该反应在无过渡金属和空气条件下顺利进行，通过选择性 S-C 键形成，以良好至优异的产率快速获得硫亚胺。该方案具有可扩展性，具有广泛的底物范围、良好的官能团耐受性和出色的化学选择性。
• NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES
  申请人：C & C Research Laboratories

  公开号：EP1087959A1

  公开（公告）日：2001-04-04