2-Tert-butylsulfanyl-1-(2-tert-butylsulfanylnaphthalen-1-yl)naphthalene | 756878-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-Tert-butylsulfanyl-1-(2-tert-butylsulfanylnaphthalen-1-yl)naphthalene
• 英文别名: 2-tert-butylsulfanyl-1-(2-tert-butylsulfanylnaphthalen-1-yl)naphthalene
• CAS: 756878-66-7
• 化学式: C₂₈H₃₀S₂
• 分子量: 430.678
• InChiKey: NIFDZYJBHFCAKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate 、 2-Tert-butylsulfanyl-1-(2-tert-butylsulfanylnaphthalen-1-yl)naphthalene 以 二氯甲烷 为溶剂， 以46%的产率得到
  参考文献：
  名称：

  Cationic iridium complexes with C2-symmetry binaphthalene-core disulfide ligands

  摘要：

  Mononuclear cationic Ir(I)-cyclooetadiene complexes containing three different C-2-symmetrical binaphthalene-templated sulfide ligands, featuring alkyl groups of increasing steric demand onto the donor centres, have been prepared and characterized. Variable temperature NMR spectra provide evidence that, regardless of the bulk of the alkyl substituent on the sulfur, the chelate coordination of the ligands proceeds in all cases with complete stereo selectivity at the newly generated S-stereocentres affording just one stereoisomer. This species features a seven-membered chelate ring in a frozen conformation where the diequatorial S-alkyl substituents are disposed in anti-relationship and the stereogenic S-donors display the same configuration. The oxidative addition of hydrogen to these complexes proceeds smoothly affording in every case one single cis-dihydride complex whose structure in one case has been cleared by correlated NMR spectra. The cationic complexes derived from these ligands are catalysts of modest value for the hydrogenation of alpha,beta-unsaturated acid derivatives where they produce nearly racemic products in moderate yields. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.03.039

文献信息

• Cationic iridium complexes with C2-symmetry binaphthalene-core disulfide ligands
  作者：Montserrat Diéguez、Aurora Ruiz、Carmen Claver、Franco Doro、Maria G Sanna、Serafino Gladiali

  DOI：10.1016/j.ica.2004.03.039

  日期：2004.7

  Mononuclear cationic Ir(I)-cyclooetadiene complexes containing three different C-2-symmetrical binaphthalene-templated sulfide ligands, featuring alkyl groups of increasing steric demand onto the donor centres, have been prepared and characterized. Variable temperature NMR spectra provide evidence that, regardless of the bulk of the alkyl substituent on the sulfur, the chelate coordination of the ligands proceeds in all cases with complete stereo selectivity at the newly generated S-stereocentres affording just one stereoisomer. This species features a seven-membered chelate ring in a frozen conformation where the diequatorial S-alkyl substituents are disposed in anti-relationship and the stereogenic S-donors display the same configuration. The oxidative addition of hydrogen to these complexes proceeds smoothly affording in every case one single cis-dihydride complex whose structure in one case has been cleared by correlated NMR spectra. The cationic complexes derived from these ligands are catalysts of modest value for the hydrogenation of alpha,beta-unsaturated acid derivatives where they produce nearly racemic products in moderate yields. (C) 2004 Elsevier B.V. All rights reserved.