methanesulfonic acid 2-[(5-chloro-benzooxazol-2-yl)-(3-oxo-butyl)amino]ethyl ester | 1383717-11-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: methanesulfonic acid 2-[(5-chloro-benzooxazol-2-yl)-(3-oxo-butyl)amino]ethyl ester
• 英文别名: methanesulfonic acid 2-[(5-chlorobenzooxazol-2-yl)-(3-oxobutyl)amino]ethyl ester；Methanesulfonic acid 2-[(5-chloro-benzooxazol-2-yl)-(3-oxo-butyl)-amino]-ethyl ester；2-[(5-chloro-1,3-benzoxazol-2-yl)-(3-oxobutyl)amino]ethyl methanesulfonate
• CAS: 1383717-11-0
• 化学式: C₁₄H₁₇ClN₂O₅S
• 分子量: 360.818
• InChiKey: MSIJRPYJULHYAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  98.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid 2-[(5-chloro-benzooxazol-2-yl)-(3-oxo-butyl)amino]ethyl ester 在 三乙醇胺 、 磷酸吡哆醛 、 isopropylamine mesylate 、 异丙基氨盐酸盐 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 11.0h， 以7.8 g的产率得到(R)-5-氯-2-(5-甲基-[1,4]二氮杂环庚烷-1-基)-苯并噁唑盐酸盐
  参考文献：
  名称：

  Process for the preparation of an intermediate for an orexin receptor antagonist

  摘要：

  本发明涉及制备一种二氮杂环庚烷化合物的中间体的方法，该化合物是促进睡眠的受体拮抗剂，可用于治疗或预防涉及促进睡眠的神经和精神障碍和疾病。

  公开号：

  US09441254B2
• 作为产物：
  描述：

  2-(5-chlorobenzo[d]oxazol-2-ylamino)ethanol 在 三乙胺 、 sodium hydroxide 作用下， 以 醋酸异丙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.25h， 生成 methanesulfonic acid 2-[(5-chloro-benzooxazol-2-yl)-(3-oxo-butyl)amino]ethyl ester
  参考文献：
  名称：

  Enantioselective Synthesis of a Dual Orexin Receptor Antagonist

  摘要：

  A concise, enantioselective synthesis of the potent dual orexin inhibitor suvorexant (1) is reported. Key features of the synthesis include a mild copper-catalyzed amination, a highly chemoselective conjugate addition, and a tandem enantioselective transamination/seven-membered ring annulation. The synthesis requires inexpensive starting materials and only four linear steps for completion.

  DOI：

  10.1021/ol3014123

文献信息

• [EN] PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR AN OREXIN RECEPTOR ANTAGONIST<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION D'UN INTERMÉDIAIRE POUR UN ANTAGONISTE DE RÉCEPTEUR D'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2013169610A1

  公开（公告）日：2013-11-14

  The present invention is directed to processes for preparing an intermediate for a diazepane compound which is an antagonist of orexin receptors, and which is useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved.

  本发明涉及制备一种二氮杂环化合物的中间体的方法，该化合物是一种促进睡眠荷尔蒙受体的拮抗剂，可用于治疗或预防神经系统和精神疾病，以及涉及到睡眠荷尔蒙受体的疾病。
• PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST
  申请人：Baxter Carl A.

  公开号：US20130331379A1

  公开（公告）日：2013-12-12

  The present invention is directed to processes for preparing a diazepane compound which is an antagonist of orexin receptors, and which is useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is further directed to crystalline forms of this diazepane compound and pharmaceutical compositions thereof.

  本发明涉及用于制备一种二氮杂烷化合物的方法，该化合物是促进素受体的拮抗剂，并且在治疗或预防神经和精神疾病中具有用途，这些疾病涉及促进素受体的作用。本发明进一步涉及该二氮杂烷化合物的晶体形式及其药物组合物。
• Process for the preparation of an orexin receptor antagonist
  申请人：Baxter Carl A.

  公开号：US09108959B2

  公开（公告）日：2015-08-18

  The present invention is directed to processes for preparing a diazepane compound which is an antagonist of orexin receptors, and which is useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is further directed to crystalline forms of this diazepane compound and pharmaceutical compositions thereof.

  本发明涉及制备一种二氮平化合物的过程，该化合物是一种促进睡眠的药物，可用于治疗或预防神经系统和精神疾病，其中促进睡眠的药物是有用的。本发明还涉及该二氮平化合物的晶体形式及其制药组合物。
• PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR AN OREXIN RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150284753A1

  公开（公告）日：2015-10-08

  The present invention is directed to processes for preparing an intermediate for a diazepane compound which is an antagonist of orexin receptors, and which is useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved.

  本发明涉及制备一种用于治疗或预防神经和精神障碍以及涉及荷尔蒙受体的疾病的抗荷尔蒙受体的二氮杂丙烷化合物的中间体的工艺。
• Process for the Prepartion of an Orexin Receptor Antagonist
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20210309650A1

  公开（公告）日：2021-10-07

  The present invention is directed to processes for preparing a diazepane compound which is an antagonist of orexin receptors, and which is useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is further directed to crystalline forms of this diazepane compound and pharmaceutical compositions thereof.