[Co(dimethylglyoxime)2Cl2] | 14784-26-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [Co(dimethylglyoxime)2Cl2]
• 英文别名: Co(dmg)₂Cl₂；cobalt(2+);(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine;dichloride
• CAS: 14784-26-0
• 化学式: C₈H₁₆Cl₂CoN₄O₄
• 分子量: 362.139
• InChiKey: VJCBNQCZLZRPPK-KMGPWXGDSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  130
• 氢给体数：
  4
• 氢受体数：
  8

安全信息

• 包装等级：
  III
• 危险类别：
  4.1
• 危险性防范说明：
  P280,P210,P240,P264,P270,P301+P310,P330,P370+P378,P403+P233,P405,P501
• 危险品运输编号：
  1325
• 危险性描述：
  H228,H302,H317,H319,H341,H351

反应信息

• 作为反应物：
  描述：

  苯胺 、 [Co(dimethylglyoxime)2Cl2] 以 甲醇 为溶剂， 反应 1.0h， 以63%的产率得到
  参考文献：
  名称：

  Proton reduction using cobalt glyoximes with isothiocyanate and aniline axial ligands

  摘要：

  Cobaloxime model complexes containing aniline derivatives and isothiocyanate as the axial ligands Co(dmgH)(2)XY (dmgH = dimethylglyoxime, X = NCS, Cl and Y = aniline, pyridine) have been synthesized and used as proton reduction catalysts. Using acetic acid as the proton source in acetonitrile, cyclic voltammetry studies have shown that these complexes are comparable to the well-known Co(dmgH)(2)(pyridine)CI complex as a potent catalyst in terms of the overpotential and catalytic efficiency of proton reduction. In particular, we have shown that aniline derivatives can be used as possible pyridine alternatives in cobaloximes in our continuing search for an even more efficient proton reduction catalyst. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.04.030
• 作为产物：
  描述：

  cobalt(II) chloride hexahydrate 、 二甲基乙二醛肟 以 丙酮 为溶剂， 反应 6.0h， 以82%的产率得到[Co(dimethylglyoxime)2Cl2]
  参考文献：
  名称：

  Proton reduction using cobalt glyoximes with isothiocyanate and aniline axial ligands

  摘要：

  Cobaloxime model complexes containing aniline derivatives and isothiocyanate as the axial ligands Co(dmgH)(2)XY (dmgH = dimethylglyoxime, X = NCS, Cl and Y = aniline, pyridine) have been synthesized and used as proton reduction catalysts. Using acetic acid as the proton source in acetonitrile, cyclic voltammetry studies have shown that these complexes are comparable to the well-known Co(dmgH)(2)(pyridine)CI complex as a potent catalyst in terms of the overpotential and catalytic efficiency of proton reduction. In particular, we have shown that aniline derivatives can be used as possible pyridine alternatives in cobaloximes in our continuing search for an even more efficient proton reduction catalyst. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.04.030
• 作为试剂：
  描述：

  2-苯基-1,2,3,4-四氢异喹啉 、 亚磷酸二甲酯 在 [Co(dimethylglyoxime)2Cl2] 、 Eosin Y 作用下， 以 水 、 乙腈 为溶剂， 反应 16.0h， 以73%的产率得到dimethyl (2-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)phosphonate
  参考文献：
  名称：

  一种可见光催化交叉偶联制备偶联产物并放氢 的方法

  摘要：

  本发明公开了一种可见光催化交叉偶联制备偶联产物并放氢的方法。通过将三级胺、亲核试剂、钴配合物1或钴配合物2、曙红Y加入溶剂中，得到混合溶液，在惰性气体保护下，用可见光照射混合溶液，得到三级胺和亲核试剂的交叉偶联产物并放出氢气。该反应在惰性气体条件下用可见光照射就可以实现，反应条件温和，整个体系没有外加的电子供体或电子受体，节约环保。

  公开号：

  CN103833729B

文献信息

• Enzyme-Inspired Synthetic Proton Relays Generate Fast and Acid-Stable Cobalt-Based H₂ Production Electrocatalysts
  作者：Dependu Dolui、Shikha Khandelwal、Althaf Shaik、Deepika Gaat、Vijay Thiruvenkatam、Arnab Dutta

  DOI：10.1021/acscatal.9b02953

  日期：2019.11.1

  they are only active near neutral conditions with moderate rates and poor aqueous solubility properties. Here, in this work, we have specifically stationed a series of enzyme-inspired, multicomponent outer coordination sphere components around the cobaloxime core to simultaneously improve its catalytic rate, aqueous solubility, and activity even under acidic conditions. We have also established that

  水溶性，耐氧和酸稳定的合成H 2生产催化剂的构建对于开发经济和用户友好的基于H 2的可再生能源基础设施至关重要。天然酶氢化酶表现出优异的节能H 2生产活性。然而，整体蛋白质结构的脆弱性限制了它们的可持续和实际应用。在氢化酶的合成功能模型中，基于钴氧肟的配合物可提供O 2-不敏感。然而，它们仅在中性条件下以中等速率和较差的水溶性具有活性。在这里，在这项工作中，我们在钴肟基核周围专门安置了一系列受酶启发的多组分外配位球组分，即使在酸性条件下也能同时提高其催化速率，水溶性和活性。我们还建立了钴肟通过两个独立的机制显示催化H 2产生的方法：（i）以Co（II）为中心和（ii）以Co（I）为中心。初始的Co（II）-centricħ 2演化的轴向的Cl取代以下发生在相对较低的还原电位-配体与溶剂的水。占主导地位的以Co（I）为中心的H 2在进一步的阴极电位中观察到生产反应性。动态外围基本功能的结合增强了钴肟基核周围的H
• Host–guest chemistry between cyclodextrin and a hydrogen evolution catalyst cobaloxime
  作者：Masaru Kato、Keita Kon、Jun Hirayama、Ichizo Yagi

  DOI：10.1039/c9nj00081j

  日期：——

  We report the host–guest chemistry between cyclodextrin and a bisdimethylglyoximato cobalt complex, cobaloxime.

  我们报道了环糊精和二二甲基二肟基钴配合物——钴酰胺之间的宿主-客体化学反应。
• Improving the synthetic H₂ production catalyst design strategy with the neurotransmitter dopamine
  作者：Santanu Ghorai、Shikha Khandelwal、Srewashi Das、Surabhi Rai、Somnath Guria、Piyali Majumder、Arnab Dutta

  DOI：10.1039/d2dt03509j

  日期：——

  The strategic incorporation of the neurotransmitter dopamine around a cobaloxime core resulted in excellent electrocatalytic (rate 8400 s⁻¹) and photocatalytic H₂ production under neutral aqueous conditions.

  在钴肟核心周围战略性地加入神经递质多巴胺，可在中性水溶液条件下产生出色的电催化（速率为 8400 s-1）和光催化 H2。
• Peripheral nucleic bases boost H₂production by synthetic molecular catalysts in acidic water
  作者：Srewashi Das、Chandan Das、Naseer Ahmad Shah、Santanu Ghorai、Piyali Majumder、Arnab Dutta

  DOI：10.1039/d3cc00964e

  日期：——

  The strategic inclusion of nucleic bases adenine, cytosine, and thymine, in the form of outer coordination sphere, positively impacts the electro- and photocatalytic H2 production by cobaloxime cores. These cobaloxime derivatives showcased their optimal H2 production in acidic media due to specific protonation of adenine and cytosine below pH 5.0.

  核碱基腺嘌呤、胞嘧啶和胸腺嘧啶以外部配位球的形式战略性包含，对钴肟核的电催化和光催化 H 2生产产生积极影响。由于低于 pH 5.0 时腺嘌呤和胞嘧啶的特异性质子化，这些钴肟衍生物在酸性介质中表现出最佳的 H 2产量。
• Expanding the Horizon of Bio‐Inspired Catalyst Design with Tactical Incorporation of Drug Molecules
  作者：Gul Afshan、Santanu Ghorai、Surabhi Rai、Aman Pandey、Piyali Majumder、G. Naresh Patwari、Arnab Dutta

  DOI：10.1002/chem.202203730

  日期：——

  For both electrocatalytic and photocatalytic H2 production: A unique bio-inspired hydrogen production catalyst design with the rational incorporation of a proton-relaying drug molecule around a synthetic metal cobalt core.

  对于电催化和光催化 H 2生产：独特的仿生制氢催化剂设计，在合成金属钴核周围合理结合质子中继药物分子。