caesium 8-iodo-3,3'-commo-bis(decahydro-1,2-dicarba-3-cobalta-closo-dodecaborate)(1-) | 84913-26-8

• 英文名称: caesium 8-iodo-3,3'-commo-bis(decahydro-1,2-dicarba-3-cobalta-closo-dodecaborate)(1-)
• 英文别名: Cs[3,3’-Co(8-I-1,2-C₂B9H₁₀)(1,2-C₂B₉H₁₁)]；Cs[3,3'-Co(8-I-1,2-C2B9H10)(1',2'-C2B9H11)]；Cs[8-I-3,3'-Co(1,2-C2B9H10)(1',2'-C2B9H11)]
• CAS: 84913-26-8
• 化学式: C₄H₂₁B₁₈CoI*Cs
• 分子量: 582.612
• InChiKey: ZRASNWUGJCRXIU-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：

  caesium 8-iodo-3,3'-commo-bis(decahydro-1,2-dicarba-3-cobalta-closo-dodecaborate)(1-) 在 aluminum (III) chloride 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以95%的产率得到8,8'-μ-iodo-3-commo-3-cobalta-bis(1,2-dicarba-closo-dodecaborane)
  参考文献：
  名称：

  Metallacarborane Derivatives Effective against Pseudomonas aeruginosa and Yersinia enterocolitica

  摘要：

  铁偏磷酸酯是一种机会性人类病原体，已成为全球医院感染问题。该病原体具有多种药物排除和毒力分泌系统，对许多抗生素具有抗性，目前没有商业疫苗可用。鼠疫耶尔森氏菌是一种动物源性病原体，被列入选择性生物制剂名单。该细菌是已知对人类最致命的病原体，抗生素耐药菌株自然出现。目前也没有商业疫苗可用。在本研究中，基于金属卡博烷笼的新化合物对铁偏磷酸酯和鼠疫耶尔森氏菌替代菌株鼠疫肠炎耶尔森氏菌进行了研究。代表性化合物对鼠疫肠炎耶尔森氏菌的IC50值低于10μM，对铁偏磷酸酯的值为20-50μM。人工产生耐药鼠疫肠炎耶尔森氏菌表明存在一种常见的药物耐药机制，这是文献中首次报道，并建议N-链接金属卡博烷作为无法受到耐药机制影响的化合物。化合物耐药菌株的SEM分析表明，该化合物具有主要的细菌抑制作用，并阻止鼠疫肠炎耶尔森氏菌的细胞分裂。这些化合物可能是新型抗鼠疫药物的起点，本研究提出的策略提供了一种绕过未来细菌耐药机制的机制。

  DOI：

  10.3390/ijms22136762
• 作为产物：
  描述：

  caesium cobalt(III)bis(1,2-dicarboilide) 在 iodine 作用下， 以 甲醇 为溶剂， 以84%的产率得到caesium 8-iodo-3,3'-commo-bis(decahydro-1,2-dicarba-3-cobalta-closo-dodecaborate)(1-)
  参考文献：
  名称：

  B-Halogen derivatives of the bis(1,2-dicarbollyl)cobalt(III) anion

  摘要：

  DOI：

  10.1016/s0277-5387(00)81604-6

文献信息

• Unprecedented B–H Activation Through Pd‐Catalysed B–C _vinyl Bond Coupling on Borane Systems
  作者：Pau Farràs、David Olid‐Britos、Clara Viñas、Francesc Teixidor

  DOI：10.1002/ejic.201100177

  日期：2011.6

  A Pd-induced cascade B–Cvinyl coupling that produces multiple B–Cvinyl bonds starting from a single B–I bond has been demonstrated. The process is most probably stimulated by the geometrical disposition of the B–H bonds confronting the B–Pd sites, along with the hydride character of the B–H units. Two and one B–Cvinyl couplings on the metallacarborane substrate have been generally obtained, but formation

  已经证明了 Pd 诱导的级联 B-Cvinyl 偶联，它从单个 B-I 键开始产生多个 B-Cvinyl 键。该过程最有可能是由面对 B-Pd 位点的 B-H 键的几何排列以及 B-H 单元的氢化物特性激发的。通常在金属碳硼烷底物上获得了两个和一个 B-Cvinyl 偶联，但已观察到多达六个 B-Cvinyl 键的形成。提出了一种涉及前所未有的 B-H 活化的理论反应机制来解释多取代过程。
• High-Affinity Binding of Metallacarborane Cobalt Bis(dicarbollide) Anions to Cyclodextrins and Application to Membrane Translocation
  作者：Khaleel I. Assaf、Barbara Begaj、Angelina Frank、Mohamed Nilam、Ali S. Mougharbel、Ulrich Kortz、Jan Nekvinda、Bohumír Grüner、Detlef Gabel、Werner M. Nau

  DOI：10.1021/acs.joc.9b01688

  日期：2019.9.20

  Metallacarboranes are a class of inorganic boron clusters that have recently been recognized as biologically active compounds. Herein, we report on the host–guest complexation of several cobalt bis(1,2-dicarbollide) anions (COSANs) with cyclodextrins (CDs) in aqueous solution. The binding affinities reach micromolar values, which are among the highest known values for native CDs, and exceed those for

  金属碳硼烷是一类最近被公认为具有生物活性的化合物的无机硼簇。在此，我们报道了水溶液中几种双（1,2-二咔唑钴）阴离子（COSANs）与环糊精（CDs）之间的主体-客体络合。结合亲和力达到微摩尔值，这是天然CD的最高已知值，超过中性疏水有机客体分子的亲和力。使用NMR和UV-可见光谱法，质谱法，循环伏安法和等温滴定量热法确定了CDSAN腔内COSAN的截留。CD的络合极大地影响了COSAN的光物理和电化学性质。结合指标位移分析，
• Electron Accumulative Molecules
  作者：Ana B. Buades、Víctor Sanchez Arderiu、David Olid-Britos、Clara Viñas、Reijo Sillanpää、Matti Haukka、Xavier Fontrodona、Markos Paradinas、Carmen Ocal、Francesc Teixidor

  DOI：10.1021/jacs.7b12815

  日期：2018.2.28

  donate one in single electron steps at accessible potentials and in a reversible way. By targeted synthesis and corresponding electrochemical tests each electron transfer (ET) step has been assigned to specific fragments of the molecules. The molecules have been carefully characterized, and the electronic communication between both metal centers (when this situation applies) has been definitely observed

  为了在获得一个或多个电子时产生具有高电子接受能力和低重组能的分子，已经开发了导致在簇中形成 BN（芳族）键的合成程序。该研究的重点是开发一种能够接受和释放特定数量电子而不会分解或改变其结构排列的分子结构。合成过程包括平行分解反应以产生反应性亲电试剂和合成反应以产生 BN（芳族）键。该程序为生产金属碳硼烷紫精 [M(C2B9H11)(C2B9H10)-NC5H4-C5H4N-M'(C2B9H11)(C2B9H10)] (M = M' = Co, Fe and M = Co and M' = Fe) 铺平了道路) 和半（金属碳硼基）紫精 [3,3'-M(8-(NC5H4- -1, 2-C2B9H10)(1',2'-C2B9H11)] (M = Co, Fe) 电子累积分子。这些分子能够接受多达五个电子，并以可接近的电位以可逆方式以单电子步骤捐赠一个。通过靶向合成和相应的电化学测试，每个电子转移
• Formation of Bridging Alkene and Conjugated Dialkenes Exclusively Generated from Alkynes on the [3,3‘-Co(1,2-C₂B₉H₁₁)₂]^- Platform. The Unique Hydroboration Role of [3,3‘-Co(1,2-C₂B₉H₁₁)₂]^-
  作者：Isabel Rojo、Francesc Teixidor、Raikko Kivekäs、Reijo Sillanpää、Clara Viñas

  DOI：10.1021/ja037279e

  日期：2003.12.1

  The unprecedented metal-mediated transformation of an alkyne into a B,B' bridging alkene is reported. Also, the unprecedented synthesis of a conjugated dialkene derivative of [3,3'-Co(1,2-C2B9H11)2]- generated only from an alkyne, contrary to the usual case where an alkyne and an alkene are needed, is described. This has been possible through the singular capacity of a B-H to produce hydroboration.
• Skipping the one C–X one C–C bond rule in Kumada cross coupling reaction. Diarylation from an only B–I in metallacarboranes
  作者：Víctor S. Arderiu、Clara Viñas、Francesc Teixidor

  DOI：10.1016/j.jorganchem.2015.06.003

  日期：2015.12

  Typical Kumada cross-coupling reaction has always been associated with the formation of one C-C bond per each initial reactive CI unit. This has also been the case for B-C cross-coupling starting from a single B-I. For the first time in this paper, diarylation in two distinct sites of a metallacarborane to generate two B-C bonds has been demonstrated, starting from a single B-I. The achievement has been possible by reacting Cs[3,3'-Co(8-I-1,2-C2B9H10) (1',2'-C2B9H11)] with the 4-bromobiphenyl Grignard reagent in the presence of [PdCl2(PPh3)(2)] and CuI as co-catalyst. All experimental data including its X-ray crystal diffraction confirm the results. (C) 2015 Elsevier B.V. All rights reserved.