7,9-dimethyl-7,9-dicarba-closo-undecaborane(11) | 17764-85-1

• 英文名称: 7,9-dimethyl-7,9-dicarba-closo-undecaborane(11)
• 英文别名: closo-2,3-Me2-2,3-C2B9H9
• CAS: 17764-85-1
• 化学式: C₄H₁₅B₉
• 分子量: 160.462
• InChiKey: NOSHJLABCRGQCT-UHFFFAOYSA-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：

  7,9-dimethyl-7,9-dicarba-closo-undecaborane(11) 在 Pd 作用下， 以 丙酸 为溶剂， 生成 乙烷
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.2, 6.2.4, page 201 - 206

  摘要：

  DOI：
• 作为产物：
  描述：

  dodecahydro-7,8-dicarba-nido-undecaborate (1-) 以75%的产率得到7,9-dimethyl-7,9-dicarba-closo-undecaborane(11)
  参考文献：
  名称：

  Polyhedral B9C2H11, B8C2H10, B7C2H9, and B6C2H8 carboranes and the B7C2H13 system

  摘要：

  DOI：

  10.1021/ja01006a007

文献信息

• Metallocarboranes: new syntheses
  作者：J. L. Spencer、M. Green、F. G. A. Stone

  DOI：10.1039/c3972001178b

  日期：——

  The preparation and synthetic utility of the complexes TI2R1R2C2B9H9 is described; the closo-car-borane Me2C2B9H9 undergoes a polyhedral expansion reaction on treatment with d10 metal complexes of Ni, Pd, or Pt.

  描述了配合物TI 2 R 1 R 2 C 2 B 9 H 9的制备和合成用途。所述闭合碳-car -硼烷我2 c ^ 2乙9 ħ 9名经历与治疗上的多面体膨胀反应d 10镍，钯，或Pt的金属配合物。
• Cage-closing reactions of the nido-carborane anion 7,9-C2B9H12− and derivatives; formation of neutral 11-vertex carboranes by acidification
  作者：Mark A. Fox、Andrew K. Hughes、John M. Malget

  DOI：10.1039/b203920f

  日期：——

  Reactions of the nido-carborane salts (Bu4N)(nido-7,9-R,R′-7,9-C2B9H10) (R,R′ = H; R,R′ = Me; R,R′ = Ph; R = Ph, R′ = Me) with H2SO4 at ambient temperature give the 11-vertex closo-carboranes 2,3-R,R′-2,3-C2B9H9 in high yields (R,R′ = H; R,R′ = Me; R,R′ = Ph; R = Ph, R′ = Me). Halogenated derivatives of closo-carboranes, 10-X-2,3-C2B9H10 (X = Cl, I), are formed from reactions of salts containing 1(6)-X-7,9-C2B9H11− anions with H2SO4, and 4-F-2,3-(p-FC6H4)2-2,3-C2B9H8 is formed from (Bu4N)(3-F-7,9-(p-FC6H4)2-7,9-C2B9H9) and F3CSO3H. Elimination of the ethoxide and fluoride substituents from the cage occurs during acidification of salts containing 10-OEt-7,9-C2B9H11− and 10-F-7,9-(p-FC6H4)2-7,9-C2B9H9− by F3CSO3H, resulting in the closo-carboranes 2,3-C2B9H11 and 2,3-(p-FC6H4)2-2,3-C2B9H9 as major products respectively. A mixture of B-Me-2,3-C2B9H10 isomers is obtained from salts containing the 8-Me-7,9-C2B9H11− and 10-Me-7,9-C2B9H11− anions with H2SO4. B-Me-2,3-C2B9H10 is suggested to be fluxional in solution with 4-Me-2,3-C2B9H10 as the major component. Protonation of the fluxional anion 10(11)-endo-Me-7,9-C2B9H11− with acetic acid gives a neutral nido-carborane 11-Me-2,8-C2B9H12 rather than closo-B-Me-2,3-C2B9H10. Molecular geometries of 11-vertex closo-carboranes and B-methyl-nido-carboranes are determined by the combined ab initio/GIAO/NMR method at the GIAO-B3LYP/6-311G*//MP2/6-31G* level of theory.

  尼多硼烷盐 (Bu4N)(尼多-7,9-R,Râ²-7,9-C2B9H10)（R,Râ² = H; R,Râ² = Me; R,Râ² = Ph；R,Râ²＝H；R,Râ²＝Me；R,Râ²＝Ph；R＝Ph，Râ²＝Me）与 H2SO4 在常温下反应，得到 11-蝶形的闭合硼烷 2,3-R,Râ²-2,3-C2B9H9，产量很高（R,Râ²＝H；R,Râ²＝Me；R,Râ²＝Ph；R＝Ph，Râ²＝Me）。含有 1(6)-X-7,9-C2B9H11â 阴离子的盐与 H2SO4 反应生成 10-X-2,3-C2B9H10（X = Cl，I）的闭硼烷卤代衍生物，而 4-F-2,3-(p-FC6H4)2-2,3-C2B9H8 则由 (Bu4N)(3-F-7,9-(p-FC6H4)2-7,9-C2B9H9) 和 F3CSO3H 生成。在用 F3CSO3H 酸化含有 10-OEt-7,9-C2B9H11â 和 10-F-7,9-(p-FC6H4)2-7,9-C2B9H9â 的盐的过程中，笼中的乙氧基和氟化取代基会被消除，主要产物分别为 2,3-C2B9H11 和 2,3-(p-FC6H4)2-2,3-C2B9H9。用 H2SO4 与含有 8-Me-7,9-C2B9H11â 和 10-Me-7,9-C2B9H11â 阴离子的盐反应，可以得到 B-Me-2,3-C2B9H10 异构体的混合物。据认为，B-Me-2,3-C2B9H10 在溶液中具有通性，其主要成分是 4-Me-2,3-C2B9H10。通性阴离子 10(11)-endo-Me-7,9-C2B9H11â 与乙酸发生质子化反应后，得到的是中性的 nido-硼烷 11-Me-2,8-C2B9H12，而不是封闭的 B-Me-2,3-C2B9H10。在 GIAO-B3LYP/6-311G*//MP2/6-31G* 理论水平上，通过 ab initio/GIAO/NMR 组合方法确定了 11-vertex闭合硼烷和 B-甲基-nido-硼烷的分子几何结构。
• Synthesis of novel substituted (3)-1,7-dicarbaundecaborate(12) ions from 1,8-dicarba-closo-undecaborane(11) and carbanions
  作者：M. Frederick Hawthorne、David A. Owen

  DOI：10.1021/ja01023a054

  日期：1968.10

  Abstract : The reaction of the B9C2H11 carborane and its C-substituted derivatives with carbanions, derived from a series of closo-carboranes by C-H ionization, react to form anions in which the two carborane systems are mutually bonded. The product anions are considered to be B-substituted derivatives of the (3)-1, 7-B9C2H12(-) ion. (Author)

  摘要 : B9C2H11 碳硼烷及其 C 取代衍生物与碳负离子反应，碳负离子是通过 CH 电离衍生自一系列闭碳硼烷，反应生成阴离子，其中两个碳硼烷系统相互键合。产物阴离子被认为是 (3)-1, 7-B9C2H12(-) 离子的 B-取代衍生物。（作者）
• 2,3-Dimethyl-1-ethyl-1,2,3-aluminadicarbadodecaborane; a versatile carbollyl transfer reagent
  作者：Peter Jutzi、Peter Galow

  DOI：10.1016/0022-328x(87)83021-8

  日期：1987.1

  main-group carboranes. The electrophilicity of the aluminum atom, which is illustrated by the formation of adducts with diethyl ether and tetrahydrofuran, enables the compound to undergo substitution reactions with nucleophiles. Whereas conversion with methylboron dibromide, germanium diiodide, or tin dichloride yielded the corresponding methylboron-, germanium- and tin-substituted icosahedrons, treatment

  由三乙基铝和7,8-二甲基-7,8-二卡巴多癸硼烷制备的2,3-二甲基-1-乙基-1,2,3-铝二卡巴多癸硼烷已被证明是合成二十面体主链的有用前体组碳硼烷。铝原子的亲电性可以通过与乙醚和四氢呋喃形成加合物来说明，从而使该化合物能够与亲核体发生取代反应。尽管用二溴化甲基硼，二碘化锗或二氯化锡进行转化可得到相应的甲基硼，锗和锡取代的二十面体，但用氯化三甲基锡或二氯化二甲基锡处理可得到1,1,2,3-四甲基-1,2,3-锡那巴卡巴十二硼烷，显然是第一种含四价锡的金属巴他卡巴十硼烷。
• Garcia, Maria P.; Green, Michael; Stone, F. Gordon A., Journal of the Chemical Society, Dalton Transactions
  作者：Garcia, Maria P.、Green, Michael、Stone, F. Gordon A.、Somerville, Richard G.、Welch, Alan J.、et al.

  DOI：——

  日期：——