1,2-diethyl-nido-carborane | 80583-48-8

• 英文名称: 1,2-diethyl-nido-carborane
• CAS: 80583-48-8
• 化学式: C₆H₁₆B₄
• 分子量: 131.437
• InChiKey: KQSSWLBJEZKVEK-OLQVQODUSA-N

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：

  1,2-diethyl-nido-carborane 、 [(η(5)-pentamethylcyclopentadienyl)RuCl]4 在 BuLi 作用下， 以 四氢呋喃 为溶剂， 以74%的产率得到(η(5)-C5Me5)RuH(Et2C2B4H4)
  参考文献：
  名称：

  Organotransition-metal metallacarboranes 45. Synthesis and structure of hydridoruthenacarborane double-decker and triple-decker sandwich complexes

  摘要：

  The reaction of the Et2C2B4H5- monoanion with (Cp*RuCl)(4) in THF gave pale yellow, air-stable, crystalline Cp*RuH(Et2C2B4H4) (1H), which was characterized via NMR, IR, UV-visible, and mass spectroscopy and X-ray diffraction. The hydride ligand on ruthenium is monohapto, with an Ru-H bond distance of 1.55(8)Angstrom, and is protonic in character, being easily removed on treatment with t-butyllithium to afford the Cp*Ru(Et2C2B4H4)(-) monoanion (1). In an attempt to prepare an Ru-Me derivative, 1 was reacted with methyl triflate, but the only isolable product, unexpectedly, was a B-methylated species, Cp*(RuH)-H-II(Et2C2B4H3-5-Me) (2), obtained as a colorless air-stable solid and characterized via multinuclear, IR, UV-visible, and mass spectroscopy. Treatment of the cobaltcarborane monoanion Cp*Co(Et2C2B3H4)(-) with (Cp*RuCl)(4) in THF gave the heterobimetallic triple-decker sandwich Cp*Co(Et2C2B3H3)RuHCp* (4), a dark green diamagnetic crystalline solid, characterized spectroscopically as in the cases of the preceding compounds. Crystal data for 1H: space group P2(1)/c; a=12.598(3)Angstrom, b=8.674(2)Angstrom, c=16.772(6)Angstrom, beta=100.29(3)degrees,Z=4; R=0.043 for 2462 independent reflections having I>3 sigma(I). (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(96)06645-4
• 作为产物：
  描述：

  pentaborane(9) 、 3-己炔 以 三乙胺 为溶剂， 生成 1,2-diethyl-nido-carborane
  参考文献：
  名称：

  Synthesis of R2R′2C4B8H8 tetracarbon carboranes from (η6-cyclooctatriene)iron(dicarbahexaborane) complexes via mixed-ligand thermal fusion

  摘要：

  DOI：

  10.1016/s0277-5387(00)84296-5

文献信息

• New Metallacarborane Chemistry:  Molybdenum and Tungsten Carbonyl Multidecker Sandwiches. Cluster Dimers Linked via Metal−Metal Bonds¹
  作者：Michael A. Curtis、Eric J. Houser、Michal Sabat、Russell N. Grimes

  DOI：10.1021/ic971297d

  日期：1998.1.1

  1b (M = Mo) and 2b (M = W). Treatment of 1b and 2b with Ph(4)PX (X = Cl, Br, I) followed by triflic acid afforded the dimeric products [(Et(2)C(2)B(4)H(4))Mo(CO)(2)](2)(&mgr;-X)(2) (X = Cl (3a), Br (3b), I (3c)) and the corresponding tungsten dimers 4a-c, all of which are red or orange air-stable crystalline solids. X-ray crystallography on 3b revealed a geometry without precedent in small metallacarborane

  本文报道了第一个带有小的碳硼烷配体的钼和钨配合物的合成，表征和化学性质，其中包括新型的MM-连接的双离子物种。Nido-2,3-Et（2）C（2）B（4）H（4）（2）（-）二价阴离子与（RCN）（​​3）M（CO）（3）试剂的反应= Mo，W; R = Me，Et）得到（Et（2）C（2）B（4）H（4））M（CO）（3）（2）（-）阴离子（12冠4）锂盐1b（M = Mo）和2b（M = W）。用Ph（4）PX（X = Cl，Br，I）然后用三氟甲磺酸处理1b和2b，得到二聚体产物[（Et（2）C（2）B（4）H（4））Mo（CO ）（2）]（2）（＆mgr; -X）（2）（X = Cl（3a），Br（3b），I（3c））和相应的钨二聚体4a-c，它们都是红色或橙色空气稳定的结晶固体。在3b上进行的X射线晶体学分析表明，在小型金属碳硼烷二聚体中，几何形状没有先例，其中两个MC（2）B（
• Organotransition-metal metallacarboranes. 12. Arene-metal-carborane triple-decker sandwiches. Designed synthesis of homo- and heterobimetallic complexes of cobalt, iron, ruthenium, and osmium
  作者：James H. Davis、Ekk Sinn、Russell N. Grimes

  DOI：10.1021/ja00195a034

  日期：1989.6

  2}Bsub 3}Hsub 3})FeCp was prepared via treatment of (eta}sup 6}-Csub 8}Hsub 10})Fe(Etsub 2}Csub 2}Bsub 3}Hsub 4})sup minus}} with Nasup +}Cpsup minus}} and CoClsub 2} followed by air oxidation. The reaction of (CO)sub 3}RuClsub 2} with (Csub 5}mesub 5})Co(Etsub 2}Csub 2}Bsub 3}Hsub 3})sup 2minus}} gave the pseudo-triple-decker complex (Csub 5}Mesub 5})Co(Etsub 2}Csub 2}Bsub

  本文描述了包含形式环 Etsub 2}Csub 2}Bsub 3}Hsub 3}sup 4minus}} 桥连配体的三层夹心复合物新家族的系统制备和表征，包括此类的第一个物种，包含第二或第三行过渡金属。通式 (L)M(Etsub 2}Csub 2}Bsub 3}Hsub 3})Mprime}(L) (M = Ru, Os; Mprime} = Co ，Ru；L = 伞花烃（对异丙基甲苯）、Cp 或 Csub 5}Mesub 5}）通过 (1) Closo-(L)M(Etsub 2}C) 的合成逐步获得sub 2}Bsub 4}Hsub 4}) 金属碳硼烷，(2) 这些配合物的斩首（去除顶点 BH）得到 nido-(L)M(Etsub 2}Csub 2}B sub 3}Hsub 5}), (3) 桥去质子化形成相应的单阴离子或双阴离子，(4)阴离子
• Quenched gas-phase reactions of tetraborane(10), B₄H₁₀, with substituted alkynes: new nido-dicarbapentaboranes and arachno-monocarbapentaboranes
  作者：Mark A. Fox、Robert Greatrex、Alireza Nikrahi

  DOI：10.1039/b715105e

  日期：——

  New alkyl derivatives of the nido-dicarbapentaborane, 1,2-C(2)B(3)H(7), and arachno-carbapentaborane, 1-CB(4)H(10), have been identified as the main volatile carbaborane products in quenched gas-phase reactions of tetraborane(10), B(4)H(10), with alkyl-substituted ethynes RC[triple bond]CR' (R = Me, Et, (n)Pr or (t)Bu, R' = H; R = Me or Et, R' = Me). The gaseous mixtures were heated at 70 degrees C

  Nido-dicarbapentaborane新烷基衍生物1,2-C（2）B（3）H（7）和arachno-carbapentaborane 1-CB（4）H（10）被确定为主要的挥发性碳硼烷四硼烷（10），B（4）H（10）与烷基取代的乙炔RC [三键] CR'（R = Me，Et，（n）Pr或（t）Bu ，R'= H； R = Me或Et，R'= Me）。将气态混合物在70℃加热，并通过气相质谱法监测。当乙炔用完时，将每个反应淬灭。B（4）H（10）和Me（3）SiC [三键] CH的淬火气相反应得到单一的挥发性碳硼烷产物1-Me（3）Si-1,2-C（2）B （3）H（6）。
• Synthesis and Reactivity of Boron-Functionalized C₂B₅-closo-Carboranes
  作者：Yong Nie、Avijit Goswami、Walter Siebert

  DOI：10.1515/znb-2005-0602

  日期：2005.6.1

  Treatment of the nido-2,3-Et₂C₂B₄H₄ ²⁻dianion (1) with monoboron reagents led to closo-C₂B₅ carborane derivatives with functional substituents at the inserted apical boron atom. The reactions of 1 with BX₃ (X = Br, I) afforded the corresponding closo-1-X-2,3-Et₂C₂B₅H₄ (2a,b), and with PhCΞCBcat (cat = O₂C₆H₄) produced the alkynyl-substituted closo-1-CΞCPh-2,3-Et₂C₂B₅H₄ (2c). Pd-catalyzed Negishi-type cross-coupling reactions of 2b with RCΞCZnCl at room temperature gave the corresponding closo-1-CΞCR-2,3-Et₂C₂B₅H₄ derivatives 2d-f, R = SiMe₃, Me, and tBu, respectively. Compound 3 with two C₂B₅ moieties linked via a C=C unit was obtained by a similar boron incorporation reaction with cis-Cl₂B₅(Et)C=C(Et)BCl₂. The reactions of 2c,d with Co₂(CO)₈ afforded the dicobaltatetrahedrane-substituted carboranes 4c and d, in which the clusters C₂B₅ and Co₂C₂ are connected by a B-C bond. Compounds 4c,d lost the apical boron on wet silica gel or sand to give the nido-C₂B₄-C₂Co₂ compounds 5c,d. Formation of the carboranyl-substituted (η⁵- C₅H₅)Co(cyclobutadiene) complex 6c was observed in the reaction of 2c with (η⁵-C₅H₅)Co(C₂H₄)₂. The composition of the products follows from NMR and MS data.

  将nido-2,3-Et2C2B4H4 2-二阴离子（1）与单硼试剂处理，可得到插入顶端硼原子的具有功能取代基的closo-C2B5羧硼烷衍生物。1与BX3（X = Br，I）反应可得到相应的closo-1-X-2,3-Et2C2B5H4（2a，b），与PhCΞCBcat（cat = O2C6H4）反应则产生炔基取代的closo-1-CΞCPh-2,3-Et2C2B5H4（2c）。在室温下，2b与RCΞCZnCl进行钯催化的Negishi型交叉偶联反应，可得到相应的closo-1-CΞCR-2,3-Et2C2B5H4衍生物2d-f，其中R = SiMe3，Me和tBu。通过类似的硼掺入反应，使用cis-Cl2B5（Et）C = C（Et）BCl2，得到两个C2B5基团通过C = C单元连接的化合物3。2c，d与Co2（CO）8反应，可得到二钴四面体取代的羧硼烷4c和d，其中簇C2B5和Co2C2通过B-C键连接。化合物4c，d在湿性硅胶或沙子上失去顶端硼，形成nido-C2B4-C2Co2化合物5c，d。在2c与（η5-C5H5）Co（C2H4）2反应中，观察到羧硼烷基取代的（η5- ）Co（环丁二烯）配合物6c的形成。产物的组成由NMR和MS数据确定。
• Organotransition-metal metallacarboranes. 13. Fulvalene- and polyarene-transition metal-carborane complexes as building blocks for multilevel arrays. Stepwise synthesis and structural characterization of polymetallic linked sandwiches
  作者：James H. Davis、Ekk Sinn、Russell N. Grimes

  DOI：10.1021/ja00195a035

  日期：1989.6

  ((Etsub 2}Csub 2}Bsub 3}Hsub 5})Co(Csub 5}Mesub 4}))sub 2}Csub 6}Hsub 4} (6), both compounds isolated as air-stable crystals. Similar treatment of the (Mesub 4}Csub 5}-(Csub 6}Hsub 4})sub 2}-Csub 5}Mesub 4})sup 2minus}} dianion gave orange crystals of ((Etsub 2}Csub 2}Bsub 4}Hsub 4})Co(Csub 5}Mesub 4}))sub 2} (7), which was decapitated to generate yellow ((Etsub 2}Csub 2}Bsub

  报道了一系列连接的双层和三层芳烃 - 金属碳硼烷配合物的设计合成和结构阐明，其中夹心部分直接或通过桥连亚苯基或亚联苯基连接。富瓦烯二价阴离子 ((Csub 5}Hsub 4})sub 2}sup 2minus}}) 与 CoClsub 2} 和​​ Etsub 2}Csub 2}B 的反应sub 4}Hsub 5}sup minus}} 离子生成 ((Etsub 2}Csub 2}Bsub 4}Hsub 4})Co(Csub 5}Hsub 4 }))sub 2} (1)，第一个已知的富瓦烯-金属-碳硼烷夹层物种，作为空气稳定的橙色晶体。1 的双斩首（去除顶点 BH 单元）得到黄色空气稳定的 ((Etsub 2}Csub 2}Bsub 3}Hsub 5})Co(Csub 5}H子 4}))子 2} (3). 1、的相互作用 4-双(四甲基环戊二烯基)亚苯基二价阴离子