(1S,2S)-2-methyl-1-((trimethylsilyl)ethynyl)cyclohexanol | 1374119-44-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,2S)-2-methyl-1-((trimethylsilyl)ethynyl)cyclohexanol
• 英文别名: (anti)-2-methyl-1-((trimethylsilyl)ethynyl)cyclohexanol；(1S,2S)-2-methyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
• CAS: 1374119-44-4
• 化学式: C₁₂H₂₂OSi
• 分子量: 210.392
• InChiKey: ZACBSHBQFXVIHL-NWDGAFQWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (1S,2S)-2-methyl-1-((trimethylsilyl)ethynyl)cyclohexanol 、 4-甲基-2-(2-氯代-2-氧代乙亚甲基)苯磺酰肼 在 N,N-二甲基苯胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.42h， 以43%的产率得到(anti)-2-methyl-1-((trimethylsilyl)ethynyl)cyclohexyl 2-diazoacetate
  参考文献：
  名称：

  Synthesis of Bridged Polycyclic Ring Systems via Carbene Cascades Terminating in C–H Bond Insertion

  摘要：

  A carbene cascade reaction that constructs functionalized bridged bicyclic systems from alkynyl diazoesters is presented. The cascade proceeds through diazo decomposition, carbene/alkyne metathesis, and C H bond insertion. The diazoesters are easily synthesized from cyclic ketones. Substrate ring size and substitution patterns control the connectivity and diastereomeric preference found in the products.

  DOI：

  10.1021/ja308305z
• 作为产物：
  描述：

  2-甲基环己酮 、 三甲基乙炔基硅 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以30%的产率得到(1S,2R)-2-methyl-1-((trimethylsilyl)ethynyl)cyclohexanol
  参考文献：
  名称：

  Synthesis of Bridged Polycyclic Ring Systems via Carbene Cascades Terminating in C–H Bond Insertion

  摘要：

  A carbene cascade reaction that constructs functionalized bridged bicyclic systems from alkynyl diazoesters is presented. The cascade proceeds through diazo decomposition, carbene/alkyne metathesis, and C H bond insertion. The diazoesters are easily synthesized from cyclic ketones. Substrate ring size and substitution patterns control the connectivity and diastereomeric preference found in the products.

  DOI：

  10.1021/ja308305z

文献信息

• [EN] PIPECOLATE-DIKETOAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS<br/>[FR] PIPÉCOLATE-DICÉTOAMIDES POUR LE TRAITEMENT DE TROUBLES PSYCHIATRIQUES
  申请人：MAX PLANCK GESELLSCHAFT

  公开号：WO2013091900A1

  公开（公告）日：2013-06-27

  The present invention relates to compounds having a pipecolate diketoamide scaffold, pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said pipecolate diketoamide compounds can be used for prophylaxis and/or treatment of psychiatric disorders and neurodegenerative diseases, disorders and conditions.

  本发明涉及具有吡啶羧酸二酮酰胺骨架的化合物，这些化合物的药用盐以及含有至少一种这些化合物的药物组合物，与药用载体、赋形剂和/或稀释剂一起。所述吡啶羧酸二酮酰胺化合物可用于预防和/或治疗精神障碍和神经退行性疾病、障碍和症状。