(S)-1,3-bis(diphenylphosphino)butane | 77876-46-1

• 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: (S)-1,3-bis(diphenylphosphino)butane
• 英文别名: (S)-1,3-bis(diphenylphosphanyl)butane；(3s)-1,3-Bis(diphenylphosphino)butane；[(2S)-4-diphenylphosphanylbutan-2-yl]-diphenylphosphane
• CAS: 77876-46-1
• 化学式: C₂₈H₂₈P₂
• 分子量: 426.478
• InChiKey: TYXWDMWSFQYDKQ-DEOSSOPVSA-N

物化性质

• 沸点：
  536.7±33.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (S)-1,3-bis(diphenylphosphino)butane 在 ammonium hexafluorophosphate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 12.0h， 生成 (S)-(-)-1,3-bis(methyldiphenylphosphonium)butane hexafluorophosphate
  参考文献：
  名称：

  Asymmetric synthesis. Asymmetric catalytic hydrogenation using chiral chelating six-membered ring diphosphines

  摘要：

  DOI：

  10.1021/ja00399a023
• 作为产物：
  描述：

  (2R)-4-[(methylsulfonyl)oxy]butan-2-yl methanesulfonate 、 三苯基膦 生成 (S)-1,3-bis(diphenylphosphino)butane
  参考文献：
  名称：

  Asymmetric synthesis. Asymmetric catalytic hydrogenation using chiral chelating six-membered ring diphosphines

  摘要：

  DOI：

  10.1021/ja00399a023

文献信息

• Novel phosphine ligands
  申请人：Iding Hans

  公开号：US20070100152A1

  公开（公告）日：2007-05-03

  The invention is concerned with new phosphine ligands of the formula I wherein R 1 and R 2 are independently of each other alkyl, aryl, cycloalkyl or heteroaryl, said alkyl, aryl, cycloalkyl or heteroaryl may be substituted by alkyl, alkoxy, halogen, hydroxy, amino, mono- or dialkylamino, aryl, —SO 2 —R 7 , —SO 3 − , —CO—NR 8 R 8′ , carboxy, alkoxycarbonyl, trialkylsilyl, diarylalkylsilyl, dialkylarylsilyl or triarylsilyl; R 3 is alkyl, cycloalkyl, aryl or heteroaryl; R 4′ and R 4 signify independently of each other hydrogen, alkyl or optionally substituted aryl; or R 4′ and R 4 together with the C-atom they are attached to form a 3-8-membered carbocyclic ring; dotted line is absent or is present and forms a double bond; R 5 and R 6 are independently of each other hydrogen, alkyl or aryl; or linked together to form a 3-8-membered carbocyclic ring or an aromatic ring; R 7 is alkyl, aryl or NR 8 R 8′ ; and R 8 and R 8′ are independently of each other hydrogen, alkyl or aryl; metal complexes with such ligands as well as the use of such metal complexes as catalysts in asymmetric reactions.

  这项发明涉及具有以下结构的新膦配体I： 其中 R1和R2分别独立地是烷基、芳基、环烷基或杂环芳基，所述烷基、芳基、环烷基或杂环芳基可以被烷基、烷氧基、卤素、羟基、氨基、单烷基或二烷基氨基、芳基、—SO2—R7、—SO3−、—CO—NR8R8′、羧基、烷氧羰基、三烷基硅基、二芳基烷基硅基、二烷基芳基硅基或三芳基硅基取代； R3是烷基、环烷基、芳基或杂环芳基； R4′和R4独立地表示氢、烷基或可选择地取代的芳基；或R4′和R4与它们连接的C原子一起形成3-8成员的碳环； 虚线不存在或存在并形成双键； R5和R6独立地是氢、烷基或芳基；或联合形成3-8成员的碳环或芳香环； R7是烷基、芳基或NR8R8′； R8和R8′独立地是氢、烷基或芳基； 这些配体的金属配合物以及将这些金属配合物用作不对称反应催化剂。
• Pyramidal Stability of 16-Electron Half-Sandwich Intermediates [CpRu(P−P)]⁺ with P−P Ligands Forming Four- to Six-Membered Chelate Rings
  作者：Henri Brunner、Manfred Muschiol、Takashi Tsuno、Takemoto Takahashi、Manfred Zabel

  DOI：10.1021/om900830a

  日期：2010.1.25

  with excess I− to form the iodo complexes with retention of the metal configuration, or they can change the metal configuration by pyramidal inversion, leading to formation of iodo complexes with inverted metal configuration. The kinetic measurements show that the pyramidal inversion via planar transition states depends on the P−Ru−P′ angles. It increases with decreasing chelate ring size, because small

  本文报道了化合物（S Ru，S C）-/（R Ru，S C）-[CpRu（Chairphos）Cl]，Chairphos =（S -1 ）的合成，异构体分离和X射线表征。3-双（二苯基膦基）丁烷和顺-/反-[CpRu（Dppm-Me）Cl]，Dppm-Me ＝ 1，1-双（二苯基膦基）乙烷。Cl / I交换反应主要保留了金属构型，伴随一些反转，但反式-[CpRu（Dppm-Me）Cl]立体定向转化为反式-[CpRu（Dppm-Me）I]。温度相关的动力学测量提供了遵循大教堂型能量曲线的Cl / I交换和差向异构反应的速率和激活参数。的Cl离解-从[CPRU（Chairphos）CL]和[CPRU（DPPM-ME）氯]给出锥体中间体[CPRU（Chairphos）] +和[CPRU（DPPM-ME）] +，其中保持金属结构。16电子中间体可以用过量的我反应-形成具有保留金属构型的碘配合物，或
• Circular dichroism of configurationally chiral dimolybdenum complexes
  作者：Iain F. Fraser、Andrew McVitie、Robert D. Peacock

  DOI：10.1016/s0277-5387(00)84883-4

  日期：1986.1

  We present an account of the preparation, structure and circular dichroism spectra of configurationally chiral quadruply bonded dimolybdenum complexes. A simple metal-localized model for the optical activity is described which provides a correlation between the stereochemistry of the complexes and the signs of both the δ → δ* and δ → x2 − y2 transitions.

  我们介绍了配置，手性四重键合二钼配合物的制备，结构和圆二色性光谱。描述了用于光学活性的简单金属局部模型，该模型提供了配合物的立体化学与δ→δ *和δ→ x 2 - y 2跃迁的符号之间的相关性。
• Isomerization reactions of bridged and chelated dimolybdenum complexes
  作者：Sheena Christie、Iain F. Fraser、Andrew McVitie、Robert D. Peacock

  DOI：10.1016/s0277-5387(00)84882-2

  日期：1986.1

  isomerization reactions of complexes of general formula , where is a diphosphine, are considered. Such complexes can exist as chelated or bridged isomers. When the diphosphine has a C2 backbone the chelated isomer spontaneously isomerizes to the bridged complex. With diphosphines with a C3 backbone, however, it is possible to stabilize the chelated isomer in certain solvents and, indeed, for bridged → chelated

  考虑了通式为的配合物的异构化反应，其中二膦为二膦。这样的络合物可以螯合或桥接的异构体形式存在。当二膦具有C 2主链时，螯合的异构体自发地异构化为桥接的复合物。然而，对于具有C 3主链的二膦，可以在某些溶剂中稳定螯合的异构体，并且确实可以发生桥接→螯合的异构化。
• SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES
  申请人：Firmenich SA

  公开号：EP2970067B1

  公开（公告）日：2017-08-16