[Ru(OAc)2((R)-3,5-t-Bu-MeOBIPHEP)] | 194497-14-8

• 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: [Ru(OAc)2((R)-3,5-t-Bu-MeOBIPHEP)]
• CAS: 194497-14-8；364621-44-3；167781-45-5
• 化学式: C₇₄H₁₀₂O₆P₂Ru
• 分子量: 1250.64
• InChiKey: MYPRLSGONFWHMN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  17.29
• 重原子数：
  83.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [Ru(OAc)2((R)-3,5-t-Bu-MeOBIPHEP)] 、 trimethylsilylmethyllithium 以 甲苯 、 正戊烷 为溶剂， 以76%的产率得到Ru(CH₂Si(CH₃)3)2(((((CH₃)3C)2C₆H₃)2PC₆H₃OCH₃)2)
  参考文献：
  名称：

  MeO-Biphep as an Eight-Electron Donor to Ruthenium(II). Chiral Dialkyl Complexes with an Unprecedented Binding Mode

  摘要：

  The chiral bis(3,5-di-tert-butylphenyl)phosphino MeO-Biphep complex Ru(OAc)(2)(1a), with two complexed P donors, reacts with MeLi to give Ru(Me)(2)(1a), in which only one P atom is coordinated together with an arene eta(6)-C6H3 moiety derived from one of the biaryl rings. This is an unprecedented binding mode for this type of chiral complex.

  DOI：

  10.1021/om970323c
• 作为试剂：
  描述：

  3-叔丁氧基甲基-4-氟-3-羟基丁酸叔丁酯 在 [Ru(OAc)2((R)-3,5-t-Bu-MeOBIPHEP)] 、 硫酸 、 氢气 、 乙酸酐 、 三乙胺 作用下， 以 甲醇 、 乙二醇二甲醚 、 二氯甲烷 为溶剂， -10.0~60.0 ℃ 、1.5 MPa 条件下， 反应 31.5h， 生成 (S)-4-fluoromethyldihydro-3H-furan-2-one
  参考文献：
  名称：

  Development of a Scalable Synthesis of (S)-3-Fluoromethyl-γ-butyrolactone, Building Block for Carmegliptin’s Lactam Moiety

  摘要：

  Several new routes are reported for the synthesis of (S)-3-fluoromethyl-gamma-butyrolactone. An asymmetric hydrogenation-based synthesis was chosen as the enabling route to produce the lactone on a 10-kg scale. A superior stereoselective route starting from (S)-tert-butyl glycidyl ether which afforded the desired lactone in three steps with similar to 50% overall yield was finally selected for further development and production.

  DOI：

  10.1021/op200019k

文献信息

• Protonation and NMR studies on 13C-acetate enriched Ru(OAc)2(Binap). Acetate as a source of water in PC bond splitting
  作者：T.J. Geldbach、C.J. den Reijer、M. Wörle、P.S. Pregosin

  DOI：10.1016/s0020-1693(01)00713-7

  日期：2002.3

  The P-C bond splitting reaction of Ru(OAc)(2)(Binap), containing C-13=O-enriched acetate, with 2 equiv. of triflic acid at 80 degreesC, has been studied. NMR spectroscopy (and specifically 13 C NMR data) reveal that acetic anhydride and water are produced. thus explaining the end product., which may be thought of as developing due to water adding across the P-C bond. An intermediate 10 derived from attack of acetate on a P-atorn is recognised. Complex 10 is shown to contain a cyclic five-membered ring, Ru-(P-OC(Me)(=O)} fragment which develops via acetate attack on a P-atom. Crystal structures for two Ru(OAc)(2)(MeO-Biphep) derivatives are reported. (C) 2002 Elsevier Science B.V. All rights reserved.