[(S)-BINAPRUCL苯]CL | 126251-92-1

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [(S)-BINAPRUCL苯]CL
• 中文别名: [(S)-BinapRuCl苯]Cl
• 英文名称: {RuCl(C6H6)((S)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl)}Cl
• 英文别名: [RuCl((S)-BINAP)(benzene)]Cl；[(S)-BINAP-RuCl(benzene)]Cl；[(S)-BINAPRuCl(benzene)]Cl；[((C10H6PPh2)2)RuCl(C6H6)]Cl；((R)-Binap RuCl benzene)Cl；benzene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);dichloride
• CAS: 126251-92-1；357401-23-1；124069-39-2；729600-55-9
• 化学式: C₅₀H₃₈ClP₂Ru*Cl
• 分子量: 872.775
• InChiKey: ZXBWEYDPYJZEFT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.55
• 重原子数：
  55
• 可旋转键数：
  7
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [(S)-BINAPRUCL苯]CL 在 CH₃OH 作用下， 以 甲醇 为溶剂， 以62%的产率得到{((C₁₀H₆(P(C₆H₅)2))2Ru)3Cl₅}⁽¹⁺⁾*Cl^(1-)*3CH₃OH={((C₁₀H₆(P(C₆H₅)2))2Ru)3Cl₅}Cl*3CH₃OH
  参考文献：
  名称：

  Synthesis and characterization of mono- and tri-nuclear ruthenium complexes of 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl and their catalytic activity

  摘要：

  The structures of ruthenium(II) complexes formed in solution from [RuX{(S)-binap}(arene)]Y (S)-3 (X, Y = halide and/or BF4-; binap = 2,2'-bis(diphenylphosphino)-1,1'-binaphthyl; arene = benzene or p-cymene) depend on the solvent. In acetonitrile-methanol (1 : 1 dicationic complexes [Ru{(S)-binap}(MeCN)4]X(Y) (S)-4 (X = Y = Cl a; X = Cl, Y = BF4 b; X = Y = Br c; or X = Y = I d) are predominantly formed, while monocationic species [RuX{(S)-binap}(MeCN)3]X (S)-6 (X = Cl a, Br b or I c) were observed in acetonitrile. These mono- and di-cationic species could not be isolated pure, while [RuCl2{(S)-binap}(MeCN)2] (S)-5 was isolated from (S)-4a or (S)-6a upon concentration of the reaction mixture. In methanol without donor molecules such as acetonitrile, cationic trinuclear complexes [Ru3X5{(S)-binap}3]Y (S)-7 (X = Y = Cl a; X = Cl, Y = BF4 b or X = Y = Br c) were exclusively formed by heating at 60-degrees-C or UV irradiation of a solution of (S)-3. The structure of (S)-7 was characterized by spectral data and an X-ray crystallographic analysis of (S)-7b [orthorhombic, space group P2(1)2(1)2(1), a = 26.328(5), b = 18.140(3), c = 26.374(4), Z = 4, R' = 0.083]. The relationship between the structure of the Ru(II)(binap) complexes and their catalytic activities for asymmetric hydrogenation of methyl 3-oxobutanoate has been investigated.

  DOI：

  10.1039/dt9920002099
• 作为产物：
  描述：

  [RuCl2(benzene)]2 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 以 not given 为溶剂， 生成 [(S)-BINAPRUCL苯]CL
  参考文献：
  名称：

  钌（II）芳烃的手性膦配合物

  摘要：

  报道了基于膦基手性膦和双酚的手性，含芳烃的钌（II）配合物，以及改进了向某些已知的含有二萘酚或非手性膦Ph 2 P（CH 2）n PPh 2（n = 2 ）的类似物的途径。，dppe；n = 4，dppb）。

  DOI：

  10.1016/0022-328x(93)83387-b
• 作为试剂：
  描述：

  对氯苯乙酸乙酯 在 4-二甲氨基吡啶 、 lithium tetrafluoroborate 、 [(S)-BINAPRUCL苯]CL 、 potassium tert-butylate 、 水 、 氢气 、 溶剂黄146 、 三乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 甲基叔丁基醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 63.5h， 生成 (S)-3-((tert-butoxycarbonyl)(isopropyl)amino)-2-(4-chlorophenyl)propionic acid
  参考文献：
  名称：

  [EN] PROCESS FOR MAKING AMINO ACID COMPOUNDS
  [FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS D'ACIDES AMINÉS

  摘要：

  这项发明提供了制备和纯化氨基酸化合物的新工艺，这些化合物在制备用于治疗癌症等疾病的AKT抑制剂中非常有用，包括化合物(S)-2-(4-氯苯基)-1-(4-((5R,7R)-7-羟基-5-甲基-6,7-二氢-5H-环戊[d]嘧啶-4-基)哌嗪-1-基)-3-(异丙基氨基)丙酮。

  公开号：

  WO2013173779A1

文献信息

• Synthesis of new cationic BINAP–ruthenium(<scp>II</scp>) complexes and their use in asymmetric hydrogenation [BINAP = 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl]
  作者：Kazushi Mashima、Koh-hei Kusano、Tetsuo Ohta、Ryoji Noyori、Hidemasa Takaya

  DOI：10.1039/c39890001208

  日期：——

  [RuX2(arene)]2(1) and (S)-BINAP gives cationic BINAP–ruthenium complexes of the formula RuX(arene)[(S)-binap]} Y (2)(X = Cl, Br, and l; Y = Cl, Br, l, BF4, and BPh4; arene = C6H6 and p-MeC6H4CHMe2) which are efficient catalyst precursors for enantioselective hydrogenation of various prochiral alkenic and ketonic substrates [BINAP = 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl]; a crystal structure of (2)(with

  [RuX 2（arene）] 2（1）与（S）-BINAP的反应产生式为RuX（arene）[（S）-binap]} Y（2）（X = Cl， Br和l； Y = Cl，Br，l，BF 4和BPh 4；芳烃= C 6 H 6和p -MeC 6 H 4 CHMe 2），它们是对各种手性烯键和酮键进行对映选择性氢化的有效催化剂前体底物[BINAP ＝ 2，2′-双（二苯基膦基）-1，1′-联萘基]；（2）（X = Cl，Y = BF 4的晶体结构）。
• PROCESS FOR PREPARING CATIONIC RUTHENIUM COMPLEXES
  申请人：Dyke Alan Malcolm

  公开号：US20110295008A1

  公开（公告）日：2011-12-01

  A process is described for the preparation of a solid cationic [ruthenium (arene) (phosphorus ligand) (halogen)] complex comprising the step of treating the complex with at least one alkane. Further described is a process for preparing a cationic [ruthenium (arene) 4,4′-bis(disubstituted-phosphino)-3,3′-bipyridine} (halogen)] complex comprising the step of reacting [ruthenium (arene) (halogen) 2]2 and a 4,4′-bis(disubstituted-phosphino)-3,3′-bipyridine ligand in a solvent consisting of at least one alcohol.

  本文描述了制备固体阳离子[ruthenium (arene) (phosphorus ligand) (halogen)]配合物的过程，其中包括用至少一种烷基处理该配合物。还描述了制备阳离子[ruthenium (arene) 4,4′-bis(disubstituted-phosphino)-3,3′-bipyridine} (halogen)]配合物的过程，包括在至少一种醇溶剂中反应[ruthenium (arene) (halogen) 2]2和4,4′-bis(disubstituted-phosphino)-3,3′-bipyridine配体。
• Takaya, Hidemasa; Ohta, Tetsuo; Mashima, Kazushi, Pure and Applied Chemistry, 1990, vol. 62, p. 1135 - 1138
  作者：Takaya, Hidemasa、Ohta, Tetsuo、Mashima, Kazushi、Noyori, Ryoji

  DOI：——

  日期：——
• Reaction rate enhancement by addition of anionic surfactant SDS in the ruthenium catalyzed hydrogen transfer from a 1,4-diol to 4-phenyl-3-buten-2-one
  作者：Kyoko Nozaki、Masanori Yoshida、Hidemasa Takaya

  DOI：10.1016/0022-328x(94)80125-8

  日期：1994.6

  Hydrogen transfer from cis-1,2-cyclohexanedimethanol to (E)-4-phenyl-3-buten-2-one catalyzed by [RuCl((S)-binap)(benzene)]Cl was accelerated by addition of SDS (sodium dodecyl sulfate). The long alkyl chain is essential for the enhancement of catalytic activity.
• Binap and MeO-Biphep complexes of Ru(II). Dicationic ligands as 6e donors. Unexpected cyclometallation in connection with P—C bond breaking
  作者：Carolien J. den Reijer、Pascal Dotta、Paul S. Pregosin、Alberto Albinati

  DOI：10.1139/cjc-79-5-6-693

  日期：——

  A series of cationic and dicationic Ru-arene complexes with Binap (1a) and MeO-Biphep (1b) have been prepared. C-13 NMR studies are shown to be useful in connection with recognising the 6e-bonding mode of 1a and 1b in the dications [Ru(1a or 1b)(eta (6)-arene)](SbF6)(2) (8,9). Reaction of 8,9 with: (a) (Bu4N)(Ph3SiF2) leads to a cyclometallated product which arises via P-C bond breaking and P-F bond making; (b) methanol provides a straightforward synthesis of the corresponding hydrides. C-13 NMR p-cymene chemical shifts are reported.