(R)-2-[双(3,5-二甲苯基)甲基]吡咯烷 | 948595-04-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (R)-2-[双(3,5-二甲苯基)甲基]吡咯烷
• 中文别名: (R)-2-[双(3,5-二甲基苯基)甲基]吡咯烷
• 英文名称: (R)-2-[Bis(3,5-dimethylphenyl)methyl]pyrrolidine
• 英文别名: (2R)-2-[bis(3,5-dimethylphenyl)methyl]pyrrolidine
• CAS: 948595-04-8
• 化学式: C₂₁H₂₇N
• 分子量: 293.4
• InChiKey: PHKHWUVAUXBNPC-HXUWFJFHSA-N

物化性质

• 熔点：
  97-101 °C

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2933990090

文献信息

• CATALYST FOR ASYMMETRIC HYDROGENATION
  申请人：MAEDA Hironori

  公开号：US20100324338A1

  公开（公告）日：2010-12-23

  This invention aims at providing a catalyst for producing an optically active aldehyde or an optically active ketone, which is an optically active carbonyl compound, by carrying out selective asymmetric hydrogenation of an α,β-unsaturated carbonyl compound, particularly a catalyst which is insoluble in a reaction mixture for obtaining optically active citronellal which is useful as a flavor or fragrance, by carrying out selective asymmetric hydrogenation of citral, geranial or neral; and a method for producing a corresponding optically active carbonyl compound. The invention relates to a catalyst for asymmetric hydrogenation of an α,β-unsaturated carbonyl compound, which comprises a powder of at least one metal selected from metals belonging to Group 8 to Group 10 of the Periodic Table, or a metal-supported substance in which at least one metal selected from metals belonging to Group 8 to Group 10 of the Periodic Table is supported on a support, an optically active cyclic nitrogen-containing compound and an acid.

  这项发明旨在通过对α，β-不饱和羰基化合物进行选择性不对称加氢，特别是通过对柠檬醛、香叶醛或柠檬醛进行选择性不对称加氢，从而提供用作香料或香精的有用的光学活性香茅醛的催化剂，该香茅醛是一种光学活性羰基化合物；以及生产相应的光学活性羰基化合物的方法。该发明涉及一种用于不对称加氢α，β-不饱和羰基化合物的催化剂，其包括来自周期表第8至第10族金属中至少一种金属的粉末，或者至少一种来自周期表第8至第10族金属的金属负载物质，该金属负载在一种支撑物上，还包括光学活性的含氮环化合物和酸。
• [EN] SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE<br/>[FR] SÉPARATION D'ÉNANTIOMÈRES DE 3-ÉTHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE
  申请人：NOVASSAY SA

  公开号：WO2016146299A1

  公开（公告）日：2016-09-22

  A process to isolate a compound of Formula (2a) or a salt or solvate thereof, comprising a) reacting a mixture of diastereoisomers of Formulae (2a, 2b) with a basic heterocyclic-aldehyde compound and an optically active amine in the presence of a base; and b) separating the compound of Formula (2a) from the product of step a) by acid extraction. The compound of Formula (2a) may be produced with an enantiomeric excess of 98%. Compounds of Formula (2a) are useful intermediates in a process to prepare a bicyclic γ - amino tetrazole derivative of Formula (I) which finds utility in treating neuropathic pain and disorders of the central nervous system.

  一种分离化合物公式（2a）或其盐或溶剂化物的方法，包括a）在碱的存在下，将公式（2a，2b）的对映异构体混合物与一种碱性杂环醛化合物和一种手性活性胺反应；和b）通过酸提取从步骤a）的产物中分离出公式（2a）的化合物。公式（2a）的化合物可具有98％的对映体过量。公式（2a）的化合物是制备公式（I）的双环γ-氨基四唑衍生物的有用中间体，在治疗神经病理性疼痛和中枢神经系统障碍方面具有实用性。
• Optical Resolution Method for Bicyclic Compound Using Asymmetric Catalyst
  申请人：Daiichi Sankyo Company, Limited

  公开号：US20140296569A1

  公开（公告）日：2014-10-02

  An optically active bicyclic compound is efficiently produced by optical resolution using an optically active amine.

  使用光学分辨法，利用光学活性胺高效地制备了光学活性的双环化合物。
• OPTICAL RESOLUTION METHOD FOR BICYCLIC COMPOUND USING ASYMMETRIC CATALYST
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP2792664A1

  公开（公告）日：2014-10-22

  An optically active bicyclic compound is efficiently produced by optical resolution using an optically active amine.

  通过使用光学活性胺进行光学解析，可高效生产出光学活性双环化合物。
• Separation of enantiomers of 3-ethylbicyclo[3.2.0]hept-3-en-6-one
  申请人：Novassay S.A.

  公开号：US10150723B2

  公开（公告）日：2018-12-11

  A process to isolate a compound of Formula (2a) or a salt or solvate thereof, comprising a) reacting a mixture of diastereoisomers of Formulae (2a, 2b) with a basic heterocyclic-aldehyde compound and an optically active amine in the presence of a base; and b) separating the compound of Formula (2a) from the product of step a) by acid extraction. The compound of Formula (2a) may be produced with an enantiomeric excess of 98%. Compounds of Formula (2a) are useful intermediates in a process to prepare a bicyclic γ-amino tetrazole derivative of Formula (I) which finds utility in treating neuropathic pain and disorders of the central nervous system.

  一种分离式（2a）化合物或其盐或溶液的工艺，包括 a) 在碱存在下，将式（2a、2b）非对映异构体混合物与碱性杂环醛化合物和光学活性胺反应；以及 b) 通过酸萃取将式（2a）化合物与步骤 a 的产物分离。式（2a）化合物的对映体过量率可达 98%。式（2a）化合物是制备式（I）双环γ-氨基四唑衍生物过程中的有用中间体，该衍生物可用于治疗神经性疼痛和中枢神经系统疾病。