13-Hydroxy-10,16-bis[4-(2,4,6-trimethylphenyl)phenyl]-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide | 791616-57-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 13-Hydroxy-10,16-bis[4-(2,4,6-trimethylphenyl)phenyl]-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
• 英文别名: 13-hydroxy-10,16-bis[4-(2,4,6-trimethylphenyl)phenyl]-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
• CAS: 791616-57-4
• 化学式: C₅₀H₄₁O₄P
• 分子量: 736.8
• InChiKey: IBCTYWPXZFRKST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  55
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• PROCESS FOR PREPARING (ALPHA S, BETA R)-6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL
  申请人：Janssen Pharmaceutica NV

  公开号：EP1888604B1

  公开（公告）日：2012-03-14
• Process for Preparing (Alpha S, Beta R)-6-Bromo-Alpha-[2-(Dimethylamino) Ethyl]-2-Methoxy-Alpha-1-Naphthalenyl-Beta-Phenyl-3-Quinolineethanol
  申请人：Porstmann Frank Ralf

  公开号：US20080200683A1

  公开（公告）日：2008-08-21

  The present invention relates to a process for isolating (αS,βR)-6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-quinolineethanol from a mixture of stereoisomeric forms of 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-quinolineethanol by optical resolution with chiral 4-hydroxydinaphtho[2,1- d :1′,2′- f ][1,3,2]dioxaphosphepin 4-oxide or a derivative thereof, in particular (11 b R)-4-hydroxydinaphtho[2,1- d :1′,2′- f ][1,3,2]dioxaphosphepin 4-oxide, as resolution agent.
• US8039628B2
  申请人：——

  公开号：US8039628B2

  公开（公告）日：2011-10-18
• US8350040B2
  申请人：——

  公开号：US8350040B2

  公开（公告）日：2013-01-08