ethyl cyclohexylsulfonylacetate | 847223-29-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: ethyl cyclohexylsulfonylacetate
• 英文别名: Cyclohexanesulfonyl-acetic acid ethyl ester；ethyl 2-cyclohexylsulfonylacetate
• CAS: 847223-29-4
• 化学式: C₁₀H₁₈O₄S
• 分子量: 234.317
• InChiKey: UZEZJGAIWIFCAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  对溴三氟甲苯 、 ethyl cyclohexylsulfonylacetate 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex sodium hydride 、 三苯基膦 、 N-氯代丁二酰亚胺 作用下， 以 乙二醇二甲醚 为溶剂， 反应 12.0h， 以62%的产率得到ethyl chloro(cyclohexylsulfonyl)(4-trifluoromethylphenyl)acetate
  参考文献：
  名称：

  Palladium-Catalyzed Arylation of Sulfones

  摘要：

  A procedure was developed for monoarylation of sulfones with aryl halides in the presence of palladium complexes. Optimal reaction conditions were found, and the scope of application of the proposed procedure was determined. The arylation occurs only with those sulfones which are relatively strong CH acids, the corresponding monoarylated sulfones are formed in moderate to high yields. The arylation of carbanions derived from the sulfones and some other CH acids requires the presence of an additional equivalent of base. The presence of the latter is also necessary in stoichiometric reactions of carbanions with the palladium complex CF3C6H4Pd(PPh3)(2)Br; no reaction occurs in the absence of a base. A new mechanism of arylation was proposed, where the key stage is deprotonation of palladium intermediate ArPdL2CHXY which activates the reductive elimination stage.

  DOI：

  10.1023/b:rujo.0000044542.70121.04
• 作为产物：
  描述：

  ethyl 2-(cyclohexylthio)acetate 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 ethyl cyclohexylsulfonylacetate
  参考文献：
  名称：

  Amido compounds and their use as pharmaceuticals

  摘要：

  本发明涉及11-β羟基类固醇脱氢酶类型1的抑制剂，矿物皮质激素受体MR的拮抗剂以及其药物组成物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶类型1的表达或活性以及与醛固酮过度相关的各种疾病。

  公开号：

  US20050288338A1

文献信息

• Amido compounds and their use as pharmaceuticals
  申请人：Yao Wenqing

  公开号：US20050288338A1

  公开（公告）日：2005-12-29

  The present invention relates to inhibitors of 11-β hydroxyl steroid dehydrogenase type 1, antagonists of the mineralocorticoid receptor MR, and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-β hydroxyl steroid dehydrogenase type 1 and/or diseases associated with aldosterone excess.

  本发明涉及11-β羟基类固醇脱氢酶类型1的抑制剂，矿物皮质激素受体MR的拮抗剂以及其药物组成物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶类型1的表达或活性以及与醛固酮过度相关的各种疾病。
• Palladium-Catalyzed Arylation of Sulfones
  作者：A. V. Mitin、A. N. Kashin、I. P. Beletskaya

  DOI：10.1023/b:rujo.0000044542.70121.04

  日期：2004.6

  A procedure was developed for monoarylation of sulfones with aryl halides in the presence of palladium complexes. Optimal reaction conditions were found, and the scope of application of the proposed procedure was determined. The arylation occurs only with those sulfones which are relatively strong CH acids, the corresponding monoarylated sulfones are formed in moderate to high yields. The arylation of carbanions derived from the sulfones and some other CH acids requires the presence of an additional equivalent of base. The presence of the latter is also necessary in stoichiometric reactions of carbanions with the palladium complex CF3C6H4Pd(PPh3)(2)Br; no reaction occurs in the absence of a base. A new mechanism of arylation was proposed, where the key stage is deprotonation of palladium intermediate ArPdL2CHXY which activates the reductive elimination stage.