fac-bis(acetonitrile)bromotricarbonylrhenium(I) | 1093253-19-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: fac-bis(acetonitrile)bromotricarbonylrhenium(I)
• 英文别名: fac-[ReBr(CO)₃(NCMe)₂]；fac-[ReBr(CO)3(NCMe)2]；fac-[ReBr(CO)3(acetonitrile)2]；fac-[Re(Br)(CO)3(CH3CN)2]；fac-[ReBr(CO)3(CH3CN)2]；fac-[ReBr(CO)3(NCMe2)]；acetonitrile;bromorhenium;carbon monoxide
• CAS: 1093253-19-0；28862-30-8；54082-97-2；799798-40-6
• 化学式: C₇H₆BrN₂O₃Re
• 分子量: 432.247
• InChiKey: NAOZWHGSPBYFGN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  fac-bis(acetonitrile)bromotricarbonylrhenium(I) 在 三苯基膦 作用下， 以 苯 为溶剂， 生成 mer,trans-BrRe(CO)3(PPh3)2
  参考文献：
  名称：

  Replacement of the stannyl group in X3SnRe(co)5 complexes by the action of amino acids and their derivatives

  摘要：

  DOI：

  10.1007/bf00963261
• 作为产物：
  描述：

  五羰基溴铼(I) 生成 fac-bis(acetonitrile)bromotricarbonylrhenium(I)
  参考文献：
  名称：

  Synthesis and characterization of thiosemicarbazone derivatives of 2-chloro-4-hydroxy-benzaldehyde and their rhenium(I) complexes

  摘要：

  N-Thioamide thiosemicarbazone derived of 2-chloro-4-hydroxy-benzaldehyde (R = H, HL1; R = Me, HL2 and R = Ph, HL3) have been prepared and their reaction with fac-[ReX(CO)(3)(CH3CN)(2)] (X = Br, Cl) in chloroform gave the adducts [ReX(CO)(3)(HL)] (1a X = Cl, R = H; 1a' X = Br, R = H; 1b X = Cl, R = CH3: 1b', X = Br, R = CH3; 1c X = Cl, R = Ph: 1c' X = Br, R = Ph) in good yield. Complexes 1a' and 1b' were also obtained by the reaction of HL1 and HL3 with [ReBr(CO)(5)] in toluene.All the compounds have been characterized by elemental analysis, mass spectrometry (FAB), IR and H-1 NMR spectroscopic methods. Moreover, the structures of HL2, HL3 and 1a center dot H2O were also established by X-ray diffraction. In la, the rhenium atom is coordinated by the sulphur and the azomethine nitrogen atoms, forming a five-membered chelate ring, as well as three carbonyl carbon and chloride atoms. The resulting coordination polyhedron can be described as a distorted octahedron.The study of the crystals obtained by slow evaporation of methanol and DMSO solutions of the adducts 1a' and 1b, respectively, showed the formation of dinner structures based on rhenium(I) thiosemicarbazonates [Re-2(L-1)(2)(CO)(6)]center dot 3H(2)O (2a)center dot 3H(2)O and [Re-2(L-2)(2)(CO)(6)]center dot(CH3)(2)SO (2b)center dot 2(CH3)(2)SO. Amounts of these thiosemicarbazonate complexes [Re-2(L)(2)(CO)(6)] (2) were obtained by reaction of the corresponding free ligands with [ReCl(CO)(5)] in dry toluene. In 2a center dot 3H(2)O and 2b center dot 2(CH3)(2)SO the dimer structures are established by Re-S-Re bridges, where S is the thiolate Sulphur from a N,S-bidentate thiosemicarbazonate ligand.In both structures the rhenium coordination sphere is similar; the dimers are in the same diamond Re2S2 face. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.09.002

文献信息

• Synthesis, characterization, reactivity and computational studies of new rhenium(I) complexes with thiosemicarbazone ligands derived from 4-(methylthio)benzaldehyde
  作者：Ara Núñez-Montenegro、Rosa Carballo、José M. Hermida-Ramón、Ezequiel M. Vázquez-López

  DOI：10.1016/j.poly.2011.05.033

  日期：2011.8

  1b′, the rhenium atom is coordinated by the sulphur and the azomethine nitrogen atoms (κS,N3) forming a five-membered chelate ring, as well as three carbonyl and bromide ligands. The resulting coordination polyhedron can be described as a distorted octahedron. The structure of the dimers is based on rhenium(I) thiosemicarbazonates [Re2(L1)2(CO)6] (2a), [Re2(L2)2(CO)6] (2b) and [Re2(L3)2(CO)6] (2c) as

  摘要制备了由4-（甲硫基）苯甲醛（R = H，HL1; R = Me，HL2和R = Ph，HL3）衍生的N-硫酰胺基硫半脲，并与fac- [ReX（CO）3（ CN） 2]（X = Br，Cl）在甲醇中的加成物[ReX（CO）3（HLn）]（1a X = Cl，n = 1; 1a'X = Br，n = 1; 1b X = Cl，n = 2； 1b'X = Br，n = 2； 1c X = Cl，n = 3； 1c'X = Br，n = 3），收率良好。所有化合物均已通过元素分析，质谱（ESI），IR和1H NMR光谱法进行了表征。此外，还通过X射线衍射阐明了HL2，HL3，HL3·（CH3）2SO和1b′·H2O的结构。在1b'中，the原子被硫和偶氮甲碱氮原子（κS，N3）配位，形成一个五元螯合环，以及三个羰基和溴化物配体。所得的配位多面体可以描述为扭曲的八面体。二聚体的结构基于r
• Ligand Control in Multihaptotropic O-Indenyl Rhenium Systems. Experimental and Theoretical Study
  作者：Silvia Bordoni、Stefano Cerini、Riccardo Tarroni、Stefano Zacchini、Luigi Busetto

  DOI：10.1021/om900417t

  日期：2009.9.28

  the haptotropic rearrangements of the hybrid O-indenyl rhenium species, is herein described. η1-IndxOMeRe(CO)5 (12x) and η3-IndxOMeRe(CO)4 (13x, x = a, d) [IndaOMe = C9H6CH2CH(Me)OMe, 1a; InddOMe = C9H6CH(CH2)3CHOMe, 1da] are examples of σ and allylic intermediates in the Cp substitution. The tuning of stereoelectronic effects of the functionalized alkyl chain or the coordinating solvent (MeCN, THF) allows

  本文描述了新型的醇和醚官能化的茚基配体的合成，其重点在于杂化的O-茚基rh物种的触觉重排。η 1 -Ind X OM ë的Re（CO）5（12 X）和η 3 -Ind X OME的Re（CO）4（13 X，X =一个，d）[工业一个OME = C 9 H ^ 6 CH 2 CH （Me）OMe，1个；IND d OME = C9 H 6 CH（CH 2）3 CHOMe 1d a是Cp取代中的σ和烯丙基中间体的实例。的官能化的烷基链或配位溶剂（乙腈，THF）的立体电子效应的调谐允许的相对稳定性的研究所截取solvento物种η 5 -Ind b OME的Re（CO）2（NCMe），14 b，η 5 -Ind ç OME的Re（CO）2（THF），15 ç，或螯合物[η 5：ķ 1 -O-IND b，c O Re（CO）2 ]，16 b，c Ind b OMe = [C 9 H 6 CH 2
• Rhenium(I)-Induced Cyclization of Thiosemicarbazones Derived from β-Keto Esters
  作者：Rosa Carballo、José S. Casas、Emilia García-Martínez、Gumersindo Pereiras-Gabián、Agustín Sánchez、José Sordo、Ezequiel M. Vázquez-López

  DOI：10.1021/ic030154q

  日期：2003.10.1

  the tetrameric complexes fac-[Re(pyz(A))(CO)(3)](4) and fac-[Re(pyz(B))(CO)(3)](4), and fac-[Re(pyz(B))(CO)(3)(H(2)O)] (where Hpyz(A) and Hpyz(B) are pyrazolones derived by cyclization of H(2)L(A) and H(2)L(B), respectively). The cyclization reactions were monitored by (1)H NMR spectroscopy and the complexes isolated were identified by elemental analysis, mass spectrometry, IR and (1)H NMR spectroscopy

  乙酰乙酸甲酯和2-甲基乙酰乙酸乙酯的硫代半咔唑酮（分别为H（2）L（A）和H（2）L（B））与[ReX（CO）（5）]和[ReX（CO）（3） （CH（3）CN）（2）]（X = Cl，Br）在各种实验条件下进行了探索。除了加合物fac- [ReX（CO）（3）（H（2）L）]（其中is与三个羰基，X阴离子和N，S-双齿硫代半碳酰胺配体配位）外，还存在以下配合物还分离了：fac- [ReBr（CO）（3）（Hpyz（B））]，四聚体复合物fac- [Re（pyz（A））（CO）（3）]（4）和fac- [Re （pyz（B））（CO）（3）]（4）和fac- [Re（pyz（B））（CO）（3）（H（2）O）]（其中Hpyz（A）和Hpyz （B）是分别通过H（2）L（A）和H（2）L（B）的环化衍生的吡唑啉酮。通过（1）H NMR光谱监测环化反应，并通过元素分析，质谱，IR和（1）H N
• 1,3,5-Tris(thiocyanatomethyl)mesitylene as a Ligand. Pseudooctahedral Molybdenum, Manganese, and Rhenium Carbonyl Complexes and Copper and Silver Dimers. Copper-Catalyzed Carbene- and Nitrene-Transfer Reactions
  作者：Héctor Martínez-García、Dolores Morales、Julio Pérez、Marcos Puerto、Daniel Miguel

  DOI：10.1021/ic1006082

  日期：2010.8.2

  New molybdenum(0), molybdenum(II), manganese(I), rhenium(I), silver(I), and copper(I) complexes with the 1,3,5-tris(thiocyanatomethyl)mesitylene [Ms(CH2SCN)3] ligand have been synthesized and characterized by IR, NMR, and by X-ray diffraction (except for the rhenium complex). The Ms(CH2SCN)3 ligand coordinated with the molybdenum, manganese, and rhenium carbonyl fragments as a tripodal chelate. With

  新的钼（0），钼（II），锰（I），rh（I），银（I）和铜（I）与1,3,5-三（硫氰酸根合甲基）亚甲基[Ms（CH 2 SCN）3 ]配体已经合成，并通过IR，NMR和X射线衍射进行了表征（except络合物除外）。Ms（CH 2 SCN）3配体与钼，锰和rh羰基片段配位，形成三脚架螯合物。用铜和银，获得了二聚的双键型物质，同时Ms（CH 2 SCN）3配体同时充当双齿螯合物和桥键。的[的Cu（MS（CH 2 SCN）3）} 2 ] [巴' 4] 2（巴' 4 =四（3,5-双（三氟甲基）苯基）硼酸盐）产物是由carbene-和氮烯转移反应的装置，用于环丙烷化和烯烃和炔烃的cyclopropenation的氮杂环丙烷的良好催化剂。
• Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane
  作者：Joel T. Mague、Jamin L. Krinsky

  DOI：10.1021/ic001266+

  日期：2001.4.1

  which the NPP ligand has been cleaved. This in turn reacts with O(2) to form trans-NiCl(2)(Ph(2)P(O)CH(2)py)(2) (13). The methine proton of NPP is transferred to the metal on reaction with Pt(C(2)H(4))(PPh(3))(2) and [Ir(COD)(NPP)]BF(4) to form the hydride complexes Pt(H)(PPh(3))(NPP-H) (14) and [Ir(H)(NPP)(NPP-H)]BF(4) (15). In 15 the intact NPP ligand is tridentate. The structures of 1 - 7 and 12

  研究了潜在的半不稳定三齿配体2-吡啶基双（二苯基膦基）甲烷（NPP）的配位化学。双齿（N，P）配位发生在CoCl（2）（NPP）（1）和[CdX（mu-X）（NPP）]（2）（X = Cl（2）; OAc（3））中，由fac-Re（CO）（3）Br（NPP）（4）和Fe（CO）（2）（MA）（NPP）（6）中的相应金属盐。最后一个是Fe（CO）（4）（MA）（MA =马来酸酐）与NPP反应生成的三种产物之一，另外两种是Fe（CO）（3）（NPP）（7; P，P配位）和异常环状分子Ph2PC（2-C5H4N）PPh2C（CH2CO2H）C（= O）（5）。配体在Cr（CO）（3）（NPP）（9），RuCl（2）（PPh（3））（NPP）（10）和PtCl（2）（NPP）（8）中显示三齿配位。一氧化碳取代了配体中的一个磷原子臂，使其中的10个磷原子错位。无水NiCl（2）和NPP在甲醇的存在下