4-{2-[5-chloro-2-(2,4-difluoro-benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(1-phenyl-methanoyl)-benzenesulfonamide | 632622-55-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 4-{2-[5-chloro-2-(2,4-difluoro-benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(1-phenyl-methanoyl)-benzenesulfonamide
• 英文别名: 4-{2-[5-chloro-2-(2,4-difluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-N-(1-phenyl-methanoyl)benzenesulfonamide；N-[4-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylbenzamide
• CAS: 632622-55-0
• 化学式: C₃₁H₂₃ClF₂N₂O₄S
• 分子量: 593.05
• InChiKey: IPOYPXVMRKSMCS-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-[5-chloro-2-(2,4-difluorobenzyloxy)phenyl]-pentane-1,4-dione 、 苯甲酰磺胺 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以71%的产率得到4-{2-[5-chloro-2-(2,4-difluoro-benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(1-phenyl-methanoyl)-benzenesulfonamide
  参考文献：
  名称：

  [EN] PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES
  [FR] COMPOSES PYRROLIQUES DESTINES AU TRAITEMENT DE MALADIES INDUITES PAR PROSTAGLANDINE

  摘要：

  式(I)的化合物或其药学上可接受的衍生物：其中A、R1、R2a、R2b、Rx、R8和R9如规范中所定义，一种制备这种化合物的方法，包括这种化合物的药物组合物以及这种化合物在医学中的用途，特别是它们在治疗前列腺素介导的疾病，如疼痛、炎症、免疫、骨骼、神经退行性或肾脏疾病中的用途。

  公开号：

  WO2003101959A1

文献信息

• Continuous process and system for production of glycidyl nitrate from glycerin, nitric acid and caustic and conversion of glycidyl nitrate to poly(glycidyl nitrate)
  申请人：——

  公开号：US20040138481A1

  公开（公告）日：2004-07-15

  A continuous and scalable process for producing glycidyl nitrate, or glyn, from glycerin, nitric acid, and caustic wherein the process includes the reaction of glycerin and nitric acid to form dinitroglycerin and the reaction of dinitroglycerin with caustic, such as sodium hydroxide, to produce glycidyl nitrate. A system for producing the inventive material is also disclosed. The system includes a first reaction vessel, a second reaction vessel, and a separation apparatus.

  从甘油、硝酸和碱生产甘油硝酸酯（Glycidyl Nitrate，简称Glyn）的连续可扩展过程中，包括甘油和硝酸反应生成硝酸甘油，以及硝酸甘油与碱（如氢氧化钠）反应生成甘油硝酸的过程。还揭示了一种生产创新材料的系统，该系统包括第一反应容器、第二反应容器和分离装置。
• Pyrrole compounds for the treatment of prostaglandine mediated diseases
  申请人：Giblin Martin Paul Gerard

  公开号：US20070082912A1

  公开（公告）日：2007-04-12

  Compounds of formula (I) or a pharmaceutically acceptable derivative thereof: wherein A, R 1 , R 2a , R 2b , R x , R 8 , and R 9 are as defined in the specification, a process for the preparation of such compounds, pharmaceutical compositions comprising such compounds and the use of such compounds in medicine.

  化合物的公式（I）或其药学上可接受的衍生物： 其中A，R1，R2a，R2b，Rx，R8和R9如规范中所定义，制备这种化合物的方法，包含这种化合物的药物组合物以及这种化合物在医学上的使用。
• Isotactic poly(glycidyl nitrate) and synthesis thereof
  申请人：THIOKOL CORPORATION

  公开号：EP0485099A1

  公开（公告）日：1992-05-13

  Isotactic poly(glycidyl nitrate) useful in solid propellants is produced by polymerizing chiral (R) glycidyl nitrate or its enantiomer, (S) glycidyl nitrate. Chiral (R) glycidyl nitrate or its enantiomer is prepared by sequential treatment of chiral (S) glycidyl tosylate or its enantiomer with nitric acid and sodium hydroxide. Chiral (S) glycidyl tosylate or its enantiomer, (R) glycidyl tosylate, can be produced by Sharpless epoxidation of allyl alcohol or by direct tosylation of commercially available chiral glycidol. Likewise, chiral (R) glycidyl nitrate or its enantiomer, (S) glycidyl nitrate, can be prepared directly via nitration of (S) or (R) glycidol, respectively.

  通过聚合手性(R)缩水甘油硝酸酯或其对映体(S)缩水甘油硝酸酯，可制得用于固体推进剂的异构聚(缩水甘油硝酸酯)。手性（R）缩水甘油硝酸酯或其对映体是通过用硝酸和氢氧化钠连续处理手性（S）缩水甘油对甲苯磺酸盐或其对映体而制备的。手性(S)缩水甘油对甲苯磺酸盐或其对映体(R)缩水甘油对甲苯磺酸盐可通过烯丙基醇的 Sharpless 环氧化反应或市售手性缩水甘油的直接对甲苯磺酸盐化反应制得。同样，手性（R）缩水甘油硝酸酯或其对映体（S）缩水甘油硝酸酯可分别通过（S）或（R）缩水甘油的硝化反应直接制备。
• Method for making stable cured poly(glycidyl nitrate)
  申请人：Sanderson J. Andrew

  公开号：US20050133128A1

  公开（公告）日：2005-06-23

  A process is provided in which at least one polyol having a hydroxyl functionality of at least three, preferably four, serves as a polymerization initiator. The polyol initiator is optionally, although preferably, reacted with a catalyst to form a catalyst-initiator complex, which is then used in the polymerization of glycidyl nitrate. The resulting polyfunctional poly(glycidyl nitrate) has a functionality substantially equivalent in number to the hydroxyl functionality of the polyol. The poly(glycidyl nitrate) is cross-linked with at least one aromatic diisocyanate having at least one aromatic ring and two isocyanate moieties bonded directly to the at least one aromatic ring. Examples of the aromatic diisocyanate include toluene diisocyanate, phenylene diisocyanate, and/or methylene di-p-phenylene diisocyanate.

  本发明提供了一种工艺，其中至少有一种多元醇具有至少三个（最好是四个）羟基官能度，可用作聚合引发剂。多元醇引发剂与催化剂反应形成催化剂-引发剂复合物，然后用于硝酸缩水甘油酯的聚合。由此产生的多官能团聚（硝酸缩水甘油酯）的官能度在数量上与多元醇的羟基官能度基本相当。聚（硝酸缩水甘油酯）与至少一种芳香族二异氰酸酯交联，该二异氰酸酯具有至少一个芳香环和两个直接与至少一个芳香环键合的异氰酸酯分子。芳香族二异氰酸酯的例子包括甲苯二异氰酸酯、亚苯基二异氰酸酯和/或亚甲基二亚苯基二异氰酸酯。
• Process of producing improved poly(glycidyl nitrate)
  申请人：THIOKOL CORPORATION

  公开号：EP0471489B1

  公开（公告）日：1996-06-12