(4S)-1-[4-(7,8-dimethoxy-1,4-dihydrobenzo[g][2,3]benzodioxin-5-yl)pyridin-2-yl]-3,4-dihydro-2H-quinolin-4-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (4S)-1-[4-(7,8-dimethoxy-1,4-dihydrobenzo[g][2,3]benzodioxin-5-yl)pyridin-2-yl]-3,4-dihydro-2H-quinolin-4-ol
• 化学式: C₂₈H₂₆N₂O₅
• 分子量: 470.5
• InChiKey: KYUMLRRWEWARBM-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  73.3
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP2749558A1

  公开（公告）日：2014-07-02

  The present invention provides an industrially advantageous method for producing an optically active naphthalene compound useful as a therapeutic agent for dermatitis or the like. Specifically, the present invention provides a method for producing an optically active naphthalene compound [I], which comprises: a step of reacting a compound [a-1] and a compound [b-1] with each other in the presence of a base and a catalyst that is composed of a Pd compound and a tertiary phosphine ligand (step a); a step of asymmetrically hydrogenating a compound [c-1] in the presence of a hydrogen donor and a complex that is prepared from a ruthenium compound and a chiral ligand, or alternatively in the presence of an optically active oxazaborolidine compound (a CBS catalyst) and a boron hydride compound (step b); and a step of treating a compound [d-1] with a reducing agent (step c). (In the above formulae, Ra and Rb represent the same or different lower alkyl groups; and X1 represents a halogen atom.)

  本发明提供了一种具有工业优势的生产光学活性萘化合物的方法，该化合物可用作皮炎或类似疾病的治疗剂。具体地说，本发明提供了一种生产光学活性萘化合物[I]的方法，该方法包括：化合物[a-1]和化合物[b-1]在碱和由钯化合物和叔膦配体组成的催化剂存在下相互反应的步骤（步骤 a）；在氢供体和由钌化合物和手性配体制备的络合物存在下，或在光学活性噁唑硼烷化合物（CBS 催化剂）和氢化硼化合物存在下，对化合物 [c-1] 进行不对称氢化的步骤（步骤 b）；以及用还原剂处理化合物 [d-1] 的步骤（步骤 c）。(在上式中，Ra 和 Rb 代表相同或不同的低级烷基；X1 代表卤原子）。