Phosphine, bis[5-methyl-2-(1-methylethyl)cyclohexyl]-, [1alpha(1R*,2S*,5R*),2beta,5alpha]-

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Phosphine, bis[5-methyl-2-(1-methylethyl)cyclohexyl]-, [1alpha(1R*,2S*,5R*),2beta,5alpha]-
• 英文别名: bis(5-methyl-2-propan-2-ylcyclohexyl)phosphane
• 化学式: C₂₀H₃₉P
• 分子量: 310.5
• InChiKey: VSFYLSANQQZFCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

文献信息

• [EN] BIDENTATE CHIRAL LIGANDS FOR USE IN CATALYTIC ASYMMETRIC ADDITION REACTIONS<br/>[FR] LIGANDS CHIRAUX BIDENTATES UTILISABLES DANS DES RÉACTIONS D'ADDITION CATALYTIQUES ASYMÉTRIQUES
  申请人：SOLVIAS AG

  公开号：WO2009065784A1

  公开（公告）日：2009-05-28

  Compounds of the formula (I), in the form of mixtures comprising predominantly one diastereomer or in the form of pure diastereomers, Z1-Q-P*R0R1 (I) in which Z1 is a C-bonded, secondary phosphine group -P(R)2; in which R is in each case independently hydrocarbon radicals or heterohydrocarbon radicals, or Z1 is the -P*R0R1 group; Q is a bivalent, achiral, aromatic base skeleton, a bivalent, achiral ferrocene base skeleton, an optionally substituted bivalent cycloalkane or heterocycloalkane skeleton, or a C1-C4-alkylene skeleton, and in which base skeletons a secondary phosphine group Z1 is bonded directly to a carbon atom, or, in the case of cyclic base skeletons, directly to a carbon atom or via a C1-C4-alkylene group, and in which base skeletons a P-chiral group -P*R0R1 is bonded directly to a carbon atom, or, in the case of cyclic base skeletons, directly to a carbon atom or via a C1-C4-alkylene group to a carbon atom such that the phosphorus atoms are linked via 1 to 7 atoms of a carbon chain optionally interrupted by heteroatoms from the group of O, S, N, Fe or Si; P* is a chiral phosphorus atom; R0 is methyl or hydroxyl, and R0 is methyl when Z1 is the -P*R0R1 group; and R1 is a C-bonded optically enriched or optically pure chiral, mono- or polycyclic, nonaromatic hydrocarbon or heterohydrocarbon radical which has 3 to 12 ring atoms and 1 to 4 rings and which has a stereogenic carbon atom at least in the α position to the P-C bond; Metal complexes of these ligands are homogeneous catalysts for asymmetric addition reactions, particularly hydrogenations.

  化合物的公式（I）的形式，以主要包含一种对映异构体的混合物形式或纯对映异构体的形式，Z1-Q-P*R0R1（I），其中Z1是C-键合的次磷酸基团-P（R）2；其中R分别是烃基或杂烃基，或Z1是-P*R0R1基团；Q是二价的、不对映的、芳香基骨架，二价的、不对映的二茂铁基骨架，一个可选择取代的二价环烷烃或杂环烷烃骨架，或一个C1-C4-烷基骨架，并且在这些基骨架中，次磷酸基团Z1直接键合到一个碳原子，或者在环状基骨架的情况下，直接键合到一个碳原子或通过一个C1-C4-烷基团，以及在这些基骨架中，一个P-手性基团-P*R0R1直接键合到一个碳原子，或者在环状基骨架的情况下，直接键合到一个碳原子或通过一个C1-C4-烷基团到一个碳原子，以使磷原子通过1到7个碳链原子连接，这些碳链原子可以通过来自O、S、N、Fe或Si的杂原子间断连接；P*是一个手性磷原子；R0是甲基或羟基，当Z1是-P*R0R1基团时，R0是甲基；R1是一个C-键合的光学富集或光学纯的手性、单环或多环、非芳香烃基或杂烃基，具有3到12个环原子和1到4个环，并且至少在P-C键的α位置具有一个立体异构碳原子；这些配体的金属络合物是用于不对称加成反应的均相催化剂，特别是氢化反应。
• BIDENTATE CHIRAL LIGANDS FOR USE IN CATALYTIC ASYMMETRIC ADDITION REACTIONS
  申请人：Pugin Benoît

  公开号：US20110118482A1

  公开（公告）日：2011-05-19

  Compounds of the formula (I), in the form of mixtures comprising predominantly one diastereomer or in the form of pure diastereomers, Z 1 -Q-P*R 0 R 1 (I) in which Z 1 is a C-bonded, secondary phosphine group —P(R) 2 ; in which R is in each case independently hydrocarbon radicals or heterohydrocarbon radicals, or Z 1 is the —P*R 0 R 1 group; Q is a bivalent, achiral, aromatic base skeleton, a bivalent, achiral ferrocene base skeleton, an optionally substituted bivalent cycloalkane or heterocycloalkane skeleton, or a C 1 -C 4 -alkylene skeleton, and in which base skeletons a secondary phosphine group Z 1 is bonded directly to a carbon atom, or, in the case of cyclic base skeletons, directly to a carbon atom or via a C 1 -C 4 -alkylene group, and in which base skeletons a P-chiral group —P*R 0 R 1 is bonded directly to a carbon atom, or, in the case of cyclic base skeletons, directly to a carbon atom or via a C 1 -C 4 -alkylene group to a carbon atom such that the phosphorus atoms are linked via 1 to 7 atoms of a carbon chain optionally interrupted by heteroatoms from the group of O, S, N, Fe or Si; P* is a chiral phosphorus atom; R 0 is methyl or hydroxyl, and R 0 is methyl when Z 1 is the —P*R 0 R 1 group; and R 1 is a C-bonded optically enriched or optically pure chiral, mono- or polycyclic, nonaromatic hydrocarbon or heterohydrocarbon radical which has 3 to 12 ring atoms and 1 to 4 rings and which has a stereogenic carbon atom at least in the a position to the P—C bond; Metal complexes of these ligands are homogeneous catalysts for asymmetric addition reactions, particularly hydrogenations.

  化合物的结构式（I），以主要由一个对映异构体组成的混合物形式或纯对映异构体形式出现，其中Z1是一个C-键结合的次级膦基团- P（R）2；其中R在每种情况下独立地是碳氢基团或杂环碳氢基团，或Z1是-P * R0R1基团；Q是双价的、无手性的、芳香基骨架、双价的、无手性的二茂铁基骨架、可选地取代的双价环烷基或杂环烷基骨架，或C1-C4-烷基骨架，在这些基骨架中，次级膦基团Z1直接键合到一个碳原子上，或在环状基骨架的情况下，直接键合到一个碳原子或通过C1-C4-烷基骨架键合到一个碳原子上，且在这些基骨架中，P-手性基团-P * R0R1直接键合到一个碳原子上，或在环状基骨架的情况下，直接键合到一个碳原子或通过C1-C4-烷基骨架键合到一个碳原子，使得磷原子通过1到7个碳链原子（可选地由O、S、N、Fe或Si的杂原子中断）相连；P *是一个手性磷原子；R0是甲基或羟基，当Z1是-P * R0R1基团时，R0为甲基；R1是C-键结合的光学纯或光学富集的手性、单环或多环、非芳香碳氢或杂环碳氢基团，具有3到12个环原子和1到4个环，并且在P-C键的α位至少有一个立体异构碳原子；这些配体的金属络合物是不对称加成反应的均相催化剂，特别是氢化反应。
• Verfahren zur Herstellung methylenverbrückter Heteroverbindungen sowie neue Bis(diorganylphosphino)methane
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0778281B1

  公开（公告）日：2002-02-06
• US8450501B2
  申请人：——

  公开号：US8450501B2

  公开（公告）日：2013-05-28
• US8598371B2
  申请人：——

  公开号：US8598371B2

  公开（公告）日：2013-12-03