tert-butyl (3aS,4R,6S,6aR)-6-(methoxy(methyl)carbamoyl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate | 1314532-89-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl (3aS,4R,6S,6aR)-6-(methoxy(methyl)carbamoyl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate
• 英文别名: tert-butyl N-[(3aS,4R,6S,6aR)-6-[methoxy(methyl)carbamoyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate
• CAS: 1314532-89-2
• 化学式: C₁₆H₂₈N₂O₆
• 分子量: 344.408
• InChiKey: LUPRJFYURUEYGZ-QCNOEVLYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  86.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl (3aS,4R,6S,6aR)-6-(methoxy(methyl)carbamoyl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate 在 Carreira’s cobalt catalyst 、 苯硅烷 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 为溶剂， 反应 6.75h， 生成 tert-butyl (3aS,4R,6S,6aR)-6-(2-(ethylthio)propan-2-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate
  参考文献：
  名称：

  区域选择性钴催化的未活化烯烃中硫化物的加成反应

  摘要：

  描述了一种使用钴催化以温和和区域选择性的方式从未活化的烯烃合成叔烷基/芳基硫醚的新方法。该方法与敏感的功能兼容，并成功用于几种不同类型的烯烃和硫化物。

  DOI：

  10.1021/jo201016z
• 作为产物：
  描述：

  (1S,3R,4S,6R)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid 、 二甲羟胺盐酸盐 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以78%的产率得到tert-butyl (3aS,4R,6S,6aR)-6-(methoxy(methyl)carbamoyl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate
  参考文献：
  名称：

  区域选择性钴催化的未活化烯烃中硫化物的加成反应

  摘要：

  描述了一种使用钴催化以温和和区域选择性的方式从未活化的烯烃合成叔烷基/芳基硫醚的新方法。该方法与敏感的功能兼容，并成功用于几种不同类型的烯烃和硫化物。

  DOI：

  10.1021/jo201016z

文献信息

• Substituted pyridine and pyrimidine derivatives and their use in treating viral infections
  申请人：Arasappan Ashok

  公开号：US09433621B2

  公开（公告）日：2016-09-06

  The present invention provides compounds of Formula (I): and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and prodrugs of said compounds, wherein each of R, R1, X, Y, Z, R2, R3, R4, R5, R6, R7, R8, R9, R18, R19 and n is selected independently and as defined herein. Compositions comprising such compounds are also provided. The compounds of the invention are effective as inhibitors of HCV, and are useful, alone and together with other therapeutic agents, in treating or preventing diseases or disorders such as viral infections and virus-related disorders.

  本发明提供了式(I)的化合物：以及所述化合物的互变异构体、异构体和酯，以及所述化合物的药学上可接受的盐、溶剂化合物和前药，其中R、R1、X、Y、Z、R2、R3、R4、R5、R6、R7、R8、R9、R18、R19和n中的每个都是独立选择并如本文所定义。还提供了包含这些化合物的组合物。本发明的化合物作为HCV的抑制剂是有效的，并且在治疗或预防病毒感染和与病毒相关的疾病或紊乱方面，单独或与其他治疗剂一起使用是有用的。
• SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2536410B1

  公开（公告）日：2015-09-23
• SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS
  申请人：Arasappan Ashok

  公开号：US20140242027A1

  公开（公告）日：2014-08-28

  The present invention provides compounds of Formula (I): and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and prodrugs of said compounds, wherein each of R, R 1 , X, Y, Z, R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 18 , R 19 and n is selected independently and as defined herein. Compositions comprising such compounds are also provided. The compounds of the invention are effective as inhibitors of HCV, and are useful, alone and together with other therapeutic agents, in treating or preventing diseases or disorders such as viral infections and virus-related disorders.
• US9433621B2
  申请人：——

  公开号：US9433621B2

  公开（公告）日：2016-09-06
• [EN] SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS<br/>[FR] DÉRIVÉS DE PYRIDINE ET PYRIMIDINE SUBSTITUÉS ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS VIRALES
  申请人：SCHERING CORP

  公开号：WO2011103441A1

  公开（公告）日：2011-08-25

  The present invention provides compounds of Formula(I): and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and prodrugs of said compounds, wherein wherein each of R, R1, X, Y, Z, R2, R3, R4, R5, R6, R7, R8, R9, R18, R19 and n is selected independently and as defined herein. Compositions comprising such compounds are also provided. The compounds of the invention are effective as inhibitors of HCV, and are useful, alone and together with other therapeutic agents, in treating or preventing dieases or disorders such as viral infections and virus-related disorders.