1,6-diiodo-2,3,4,5-tetraethyl-2,3,4,5-tetracarba-nido-hexaborane(6) | 172166-33-5

• 英文名称: 1,6-diiodo-2,3,4,5-tetraethyl-2,3,4,5-tetracarba-nido-hexaborane(6)
• 英文别名: 2,3,4,5-tetraethyl-1,6-diiodo-2,3,4,5-tetracarba-nido-hexaborane(6)
• CAS: 172166-33-5
• 化学式: C₁₂H₂₀B₂I₂
• 分子量: 439.722
• InChiKey: BJQMRNXAUJSKAJ-UHFFFAOYSA-N

物化性质

• 熔点：
  52 °C

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：

  1,6-diiodo-2,3,4,5-tetraethyl-2,3,4,5-tetracarba-nido-hexaborane(6) 在 四(三苯基膦)钯 n-BuLi 、 ZnCl₂ 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 2,3,4,5-tetraethyl-6-(phenylethynyl)-1-(trimethylsilylethynyl)-2,3,4,5-tetracarba-nido-hexaborane(6)
  参考文献：
  名称：

  2,3,4,5-Tetraethyl-1,6-diiodo-2,3,4,5-tetracarba-nido-hexaborane(6) 的反应性研究：新型 C4B2nido-Carborane 衍生物的合成和结构

  摘要：

  报告了标题化合物 2,3,4,5-四乙基-1,6-diiodo-2,3,4,5-tetracarba-nido-hexaborane(6) (1) 对多种亲核试剂的反应性。当 1 用 RC2Li (R = Ph, tBu, SiMe3, p-tolyl) 和 Ph2PLi 处理时，相应的新 C4B2nido-carborane 衍生物 2a-d 和 3 分别通过在基础 B-I 基团的选择性取代获得，而顶端的 B-I 键保持惰性。1 与 K[(η5-C5H5)Fe(CO)2] 的反应提供了新的物种 4，它包含一个 CpFe(CO)2 片段，σ 键合到 C4B2 簇的基础硼原子上。尝试通过硅胶色谱法分离 4 导致 Fe-B 键断裂并形成化合物 5，其中包含基础 BH 顶点，其可以通过 1 和 LiBEt3H 的反应单独制备。在 1 分别与 PhLi 和 Me3SnLi 的反应中，6a 和 7a

  DOI：

  10.1002/ejic.200300938
• 作为产物：
  描述：

  3-己炔 、 cis-3,4-bis(diiodoboryl)-3-hexene 以 正己烷 为溶剂， 生成 1,6-diiodo-2,3,4,5-tetraethyl-2,3,4,5-tetracarba-nido-hexaborane(6)
  参考文献：
  名称：

  1,6-Diiodo-2,3,4,5-tetracarba-nido-hexaboranes(6) 的一锅法合成及其反应体系 Alkynes/BI3/NaK2.8 的机理研究

  摘要：

  尝试通过用 BI3（2 当量）和 NaK2.8 处理 3-己炔来制备 tetracarba-nido-octaborane(8) 衍生物 (EtC)4(BI)4 (4) 导致 2,3,4,5 -tetraethyl-1,6-diiodo-2,3,4,5-tetracarba-nido-hexaborane(6) (2a) 作为主要产物，微量 4 以及 2,3-diethyl-1,4， 5,6,7-pentaiodo-2,3-dicarba-closo-heptaborane(7) (5)。从 -78 °C 开始，3-己炔、2-丁炔或二苯乙炔分别与 BI3（1 当量）和 NaK2.8 反应得到相应的 1,6-diiodo-2,3,4,5-tetracarba -nido-hexaboranes(6) 2a-c 作为单一碳硼烷产品。在 3-己炔和二苯乙炔的情况下，也检测到六有机基苯衍生物的形成。为了证实

  DOI：

  10.1002/ejic.200300704

文献信息

• Reactivity of Carboranylacetylenes towards Cobalt Complexes
  作者：Avijit Goswami、Yong Nie、Thomas Oeser、Walter Siebert

  DOI：10.1002/ejic.200500787

  日期：2006.2

  (η4-cyclobutadiene)cobalt complexes 5a,c are obtained from the reactions of 2a,c with stoichiometric amounts of CpCo(C2H4)2. The 1,6-dialkynyl carborane 6 reacts regioselectively at the basal acetylene group with a stoichiometric amount of CpCo(CO)2 to give 1,3-dicarboranyl-substituted (cyclobutadiene)cobalt complex 7. The dicarboranyl-substituted (cyclopentadienone)cobalt complex 8 is formed by the

  1,6-二碘-C4B2nido-carborane 衍生物 1 与 RC2Li (R = Me, SPh) 反应生成相应的碳甲炔基乙炔 2b,c。在催化量的 Pd(PPh3)4 存在下，用 PhC2ZnCl 处理 PPh2-取代的 nido-carborane 3a 导致已知的基础取代的 nido-carboranyl乙炔 2a。通过Pd0催化的Nigishi型交叉偶联反应取代3b，合成顶端取代的化合物4b；基础硼原子被正丁基封闭。1,3-二碳硼烷基取代的(η4-环丁二烯)钴配合物5a,c由2a,c与化学计量量的CpCo(C2H4)2的反应获得。1,6-二炔基碳硼烷 6 在基础乙炔基团上与化学计量的 CpCo(CO)2 发生区域选择性反应，得到 1，3-二碳硼烷基取代的(环丁二烯)钴络合物7.二碳硼烷基取代的(环戊二烯酮)钴络合物8通过化合物4b与CpCo(CO) 2 的反应形成。新化合物通过核磁共振光谱、质谱和
• Halogen exchange at boron in nido-C4B2 carboranes
  作者：Yong Nie、Hans Pritzkow、Hubert Wadepohl、Walter Siebert

  DOI：10.1016/j.jorganchem.2005.05.037

  日期：2005.11

  The Pd(PPh3)(4)-catalyzed reaction of 1-iodo-6-phenylethynyl-2,3,4,5-tetraethyl-2,3,4,5-tetracarba-nido-hexaborane(6) (1a) with in situ generated arylzinc reagents (from arylbromides) leads to 1-bromo-6-phenylethynyl-2,3,4,5-tetraethyl-2,3,4,5-tetracarba-nido-hexaborane(6) (2a) and a trace amount of nido-(EtC)(4)(BC CPh)(2) (3a). 3a is separately synthesized by a Pd-catalyzed Negishi-type coupling reaction of la with phenylethynyl-zincchloride. This is confirmed by the Pd-catalyzed reactions of 1-iodo-6-tert-butylethynyl-2,3,4,5-tetraethyl-2,3,4,5-tetracarba-nido-hexaborane(6) (1b) with n-BuBr and PhZnCl, respectively, which produce the brominated carborane 2b and nido-(EtC)(4)(BC CtBu)(2) (3b). With a dialkynylzine reagent, a similar reaction of 1-iodo-6-ptolylethynyl-2,3,4,5-tetraethyl-2,3,4,5-tetracarba-nido-hexaborane(6) (1c) gives the linked compound 4, and a very small amount of ZnI2(OPPh3)(2) is formed. The selective basal halogen exchange of 1,6-diiodo-2,3,4,5-tetraethyl-2,3,4,5-tetracarba-nido-hexaborane(6) (5) with an excess of AgF leads to 1-iodo-6-fluoro-2,3,4,5-tetraethyl-2,3,4,5-tetracarba-nido-hexa-borane(6) (6). The composition of the products follows from NMR and MS data and a single crystal X-ray analysis of 2a. The X-ray structure of Znl2(OPPh3)2 is reported. (c) 2005 Elsevier B.V. All rights reserved,
• Synthesis of 1,6-dihalogeno-2,3,4,5-tetracarba-nido-hexaborane(6) derivatives
  作者：Bernd Wrackmeyer、Gerald Kehr

  DOI：10.1016/0022-328x(95)05619-z

  日期：1995.10

  1,4,6,9-Tetraalkyl-3,8-diethyl-2,7-bis(diethylboryl[4.4]mona-1,3,6,8-tetraenes (alkyl = Pt (2a), Pr (2b), Pr-i (2c), ''Bu (2d)) react with four equivalents of boron tribromide to give 2,3,4,5-tetraalkyl-1,6-dibromo-2,3,4,5-tetracarba-nido-hexaboranes(6) (3a-d) in high yield. By monitoring the progress of the reactions using C-13 NMR spectroscopy, 2,5-diboryl-substituted 3-borolenes (10) were identified as intermediates that rearrange to the carboranes via elimination of ethylboron dibromide. Treatment of 2 with boron triiodide affords the analogous 1,6-diodo-substituted carboranes 4. The reaction of 2 with an excess of boron trichloride proceeds rather slowly, again with a 3-borolene (9) as intermediate, and leads finally to a mixture of the carboranes 5 and 6 as a result of elimination of EtBCl(2) or BCl3. Treatment of 2 with BF3 leads to decomposition without any defined products. The carboranes 3 react stepwise with Li[Et(3)BH] to give first the monohydride with a B(6)-H bond (17) and the dihydride with B(6)-H and B(1)-H bonds (18).