5-tert-butyl-1-[(2R,4R)-4-(5-tert-butyl-3-diphenylphosphoryl-2-iodophenoxy)pentan-2-yl]oxy-3-diphenylphosphoryl-2-iodobenzene | 1047661-31-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-tert-butyl-1-[(2R,4R)-4-(5-tert-butyl-3-diphenylphosphoryl-2-iodophenoxy)pentan-2-yl]oxy-3-diphenylphosphoryl-2-iodobenzene
• CAS: 1047661-31-3
• 化学式: C₄₉H₅₂I₂O₄P₂
• 分子量: 1020.71
• InChiKey: TWERPDABXXYNLU-VSJLXWSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.7
• 重原子数：
  57
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-tert-butyl-1-[(2R,4R)-4-(5-tert-butyl-3-diphenylphosphoryl-2-iodophenoxy)pentan-2-yl]oxy-3-diphenylphosphoryl-2-iodobenzene 在 三正丁胺 、 三氯硅烷 、 铜 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 N,N-二甲基甲酰胺 为溶剂， 生成 [(9R,11R)-5,15-ditert-butyl-17-diphenylphosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-diphenylphosphane
  参考文献：
  名称：

  Axially 4,4′-di-tert-butyl TunePhos-type chiral diphosphine ligand: synthesis and applications in asymmetric hydrogenation

  摘要：

  Axially 4,4'-di-tert-butyl TunePhos-type chiral diphosphine ligand was designed and synthesized by means of central-to-axial chirality transfer. Up to 99% and 98% ee have been achieved in Ru-catalyzed hydrogenation of beta-alkyl and beta-aryl-substituted beta-keto esters, respectively. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.12.057
• 作为产物：
  描述：

  1,3-二溴-5-(1,1-二甲基乙基)苯 在 双氧水 、 三溴化硼 、 potassium carbonate 、 magnesium 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-tert-butyl-1-[(2R,4R)-4-(5-tert-butyl-3-diphenylphosphoryl-2-iodophenoxy)pentan-2-yl]oxy-3-diphenylphosphoryl-2-iodobenzene
  参考文献：
  名称：

  Axially 4,4′-di-tert-butyl TunePhos-type chiral diphosphine ligand: synthesis and applications in asymmetric hydrogenation

  摘要：

  Axially 4,4'-di-tert-butyl TunePhos-type chiral diphosphine ligand was designed and synthesized by means of central-to-axial chirality transfer. Up to 99% and 98% ee have been achieved in Ru-catalyzed hydrogenation of beta-alkyl and beta-aryl-substituted beta-keto esters, respectively. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.12.057

文献信息

• Axially 4,4′-di-tert-butyl TunePhos-type chiral diphosphine ligand: synthesis and applications in asymmetric hydrogenation
  作者：Chun-Jiang Wang、Chu-Bei Wang、Dong Chen、Guangfu Yang、Zhengshun Wu、Xumu Zhang

  DOI：10.1016/j.tetlet.2008.12.057

  日期：2009.3

  Axially 4,4'-di-tert-butyl TunePhos-type chiral diphosphine ligand was designed and synthesized by means of central-to-axial chirality transfer. Up to 99% and 98% ee have been achieved in Ru-catalyzed hydrogenation of beta-alkyl and beta-aryl-substituted beta-keto esters, respectively. (C) 2008 Elsevier Ltd. All rights reserved.