苏沃雷生中间体3 | 1260619-38-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 中文名称: 苏沃雷生中间体3
• 中文别名: 5-氯-2-[(5R)-六氢-5-甲基-1H-1,4-二氮杂卓-1-基]苯并恶唑盐酸盐；苏沃雷生中间体
• 英文名称: (5R)-5-methyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl (R)-5-methyl-1,4-diazepane-1-carboxylate；(R)-1-Boc-5-methyl-1,4-diazepane；tert-butyl (5R)-5-methyl-1,4-diazepane-1-carboxylate
• CAS: 1260619-38-2
• 化学式: C₁₁H₂₂N₂O₂
• 分子量: 214.308
• InChiKey: SVMXIQUBNSPVCB-SECBINFHSA-N

物化性质

• 沸点：
  288.3±23.0 °C(Predicted)
• 密度：
  0.980±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  苏沃雷生中间体3 在 N-甲基吗啉 、 N-羟基-7-氮杂苯并三氮唑 、 potassium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 22.0h， 生成 苏沃雷生
  参考文献：
  名称：

  Laboratory and practical synthesis of Suvorexant, a selective dual orexin receptor antagonist

  摘要：

  The development of a laboratory and practical synthesis of Suvorexant 1, using intramolecular Mitsunobu cyclization reaction of intermediate 5 as the key reaction, has been reported. Compound 5 was obtained from known chiral ester 2 in three steps, and the key cyclization proceeded smoothly to provide the core seven-membered ring compound 6, which was transformed into 1 by an additional four-step sequence. The procedure described here needs no chiral-HPLC separation, no classical resolution, and no unique enzyme reactions, and offers an alternative practical synthesis of 1. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.08.086
• 作为产物：
  描述：

  以97的产率得到苏沃雷生中间体3
  参考文献：
  名称：

  Tetrahedron: Assymetr. 1991, 2, 183-186

  摘要：

  DOI：

文献信息

• [EN] METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RÉCEPTEUR D'OREXINE DE TYPE MÉTHYL-DIAZÉPANE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016085784A1

  公开（公告）日：2016-06-02

  The present invention is directed to methyl diazepane compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及甲基二氮杂环己烷化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述化合物在潜在的治疗或预防涉及促进睡眠的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗涉及促进睡眠的疾病中的用途。
• Methyl diazepane orexin receptor antagonists
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10000499B2

  公开（公告）日：2018-06-19

  The present invention is directed to methyl diazepane compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及甲基二氮杂环庚烷化合物，它是奥曲肽受体的拮抗剂。本发明还涉及本文所述化合物在潜在治疗或预防涉及奥曲肽受体的神经和精神疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及奥曲肽受体的此类疾病中的用途。
• Chinese Chem. Lett. 2015, 26, 103-107
  作者：

  DOI：——

  日期：——
• Tetrahedron Lett. 2014, 55, 5778-5780
  作者：

  DOI：——

  日期：——
• METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS
  申请人：KUDUK SCOTT D.

  公开号：US20170305916A1

  公开（公告）日：2017-10-26

  The present invention is directed to methyl diazepane compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.