((μ-SCH2)2N(CH2CH2OH))Fe2(CO)6 | 934386-31-9

• 英文名称: ((μ-SCH2)2N(CH2CH2OH))Fe2(CO)6
• 英文别名: [(μ-SCH2)2N(CH2CH2OH)]Fe2(CO)6；[(μ-SCH2)2N(CH2)2OH]Fe2(CO)6；[(μ-SCH2)2NCH2CH2OH]Fe2(CO)6；(μ-SCH2)N(CH2CH2OH)Fe2(CO)6；[(SCH2)2NCH2CH2OH]Fe2(carbonyl)6
• CAS: 934386-31-9
• 化学式: C₁₀H₉Fe₂NO₇S₂
• 分子量: 431.01
• InChiKey: OSINKKBYQJBOJV-UHFFFAOYSA-L

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：

  ((μ-SCH2)2N(CH2CH2OH))Fe2(CO)6 在 P(C₆H₅)3 作用下， 以 四氢呋喃 、 甲醇 、 氘代氯仿 、 氯仿 为溶剂， 生成 [(μ-SCH2)2NHCH2CH2SC(O)Me]Fe2(CO)6(1+)
  参考文献：
  名称：

  新型的N-功能取代的二铁氮杂二硫杂铁盐配合物的合成，结构表征和某些性质，作为仅铁酶的仿生模型

  摘要：

  新的N-官能取代azadithiolate ADT型模型复合物2 - 9已经合成从已知的复杂的起始[（μ-SCH 2）2 NCH 2 CH 2 OH]的Fe 2（CO）6（1）。的治疗1与卤化剂，PPH的混合物3和CBR 4，得到[（μ-SCH 2）2 NCH 2 CH 2 BR]的Fe 2（CO）6（2）。进一步治疗2用的MeC（O）SNA给出[（μ-SCH 2）2 NCH 2 CH 2 SC（O）Me]的Fe 2（CO）6（3）。而1起反应与酰化试剂1- naphthaleneacetyl，2- furancarbonyl，或2-噻吩碳酰氯，以产生[（μ-SCH 2）2 NCH 2 CH 2 ö 2 CCH 2 Ç 10 ħ 7 -1]的Fe 2（CO）6（4）和[（μ-SCH 2）2 NCH 2 CH 2ø 2 CC 4 ħ 3 X-2]的Fe 2（CO）6（6，X = O; 7，X

  DOI：

  10.1021/om7005326
• 作为产物：
  描述：

  聚合甲醛 、 bis(μ-mercapto)bis(tricarbonyliron) 、 C.I.酸性橙108 以 四氢呋喃 为溶剂， 以25%的产率得到((μ-SCH2)2N(CH2CH2OH))Fe2(CO)6
  参考文献：
  名称：

  Synthesis, structures and electrochemical properties of hydroxyl- and pyridyl-functionalized diiron azadithiolate complexes

  摘要：

  The hydroxyl- and pyridyl-functionalized diiron azadithiolate complexes [[(mu-SCH2)(2)N(CH2CH2OH)}Fe-2(CO)(6)] (1) and [{(mu-SCH2)(2)N(CH2CH2OOCPy)} Fe-2(CO)(6)] (Py = pyridyl) (2) were prepared as biomimetic models of the active site of Fe-only hydrogenases. Both complexes were characterized by MS, IR, H-1 NMR spectra and elemental analysis. The molecular structures of 1 and 2 were determined by single crystal X-ray analysis. A network is constructed by intermolecular H-bonds in the crystals of 1. An S center dot center dot center dot O intermolecular contact was found in the crystals of 2, which is scarcely found for organometallic complexes. Cyclic voltammograms of 1 and 2 were studied to evaluate their redox properties. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.09.023

文献信息

• Investigations on the Active Site Models of [FeFe]-Hydrogenases: Synthesis, Structure, and Properties of N-Functionalized Azadithiolatodiiron Complexes Containing Mono- and Diphosphine Ligands
  作者：Li-Cheng Song、Hu-Ting Wang、Jian-Hua Ge、Shu-Zhen Mei、Jie Gao、Liang-Xing Wang、Bin Gai、Li-Qun Zhao、Jing Yan、Yong-Zhen Wang

  DOI：10.1021/om700956e

  日期：2008.4.1

  As the new H-cluster models, a series of N-functionalized azadithiolatodiiron complexes containing mono- and diphosphine ligands 1–7 have been prepared by various methods from complexes [(μ-SCH2N(Fun)]Fe2(CO)6 (A, Fun = C6H4CHO-p; B, Fun = C6H4CO2Me-p; C, Fun = CH2CH2O2CCH2C10H7-1; D, Fun = CH2CH2OH) and [(μ-SCH2)2N(Fun)]Fe2(CO)5(Ph2PH) (E, Fun = C6H4OMe-p). Treatment of A and B with 1 equiv of Me3NO·2H2O

  作为新的H-聚类模型，一系列的N-官能azadithiolatodiiron含有单-和二膦配体配合物1 - 7已经从配合物[（μ-SCH制备通过各种方法2 N（游戏）]的Fe 2（CO）6（A，Fun = C 6 H 4 CHO- p ; B，Fun = C 6 H 4 CO 2 Me- p ; C，Fun = CH 2 CH 2 O 2 CCH 2 C 10 H 7 -1; D，趣味= CH 2 CH 2 OH）和[（μ-SCH 2）2 N（游戏）]的Fe 2（CO）5（PH 2 PH）（ê，乐趣= C 6 H ^ 4 OMe- p）。的治疗甲和乙与我的1个当量3 NO·2H 2 ö随后用1个当量的Ph 3 P或博士2 PH，得到相应的单膦取代的配合物[（μ-SCH 2）2 N（C ^ 6 ħ 4 CHO - p）]的Fe 2（CO）5（PH 3 P）（1）和[（μ-SCH 2）2 N（C
• Noncovalent Assembly of a Metalloporphyrin and an Iron Hydrogenase Active-Site Model: Photo-Induced Electron Transfer and Hydrogen Generation
  作者：Xueqiang Li、Mei Wang、Suping Zhang、Jingxi Pan、Yong Na、Jianhui Liu、Björn Åkermark、Licheng Sun

  DOI：10.1021/jp710498v

  日期：2008.7.1

  spectroscopic measurements. In contrast to molecular dyads linked by covalent bonds, the assembled system was designed to avoid charge recombination via complex dissociation after photo-induced electron transfer. Visible light-driven hydrogen generation was observed from this self-assembled system. The assembling strategy employed in this study has the potential to be used for any other hydrogenase models in the

  已获得并表征了吡啶基官能化的加氢酶活性位点模型复合物和四苯基卟啉锌的非共价组装体。在光照射下，观察到了从卟啉的单线激发态到二铁中心的电子转移引起的荧光猝灭，并且通过荧光寿命和瞬态吸收光谱法验证了该机理。与通过共价键连接的分子二元体相反，组装后的系统被设计为避免在光诱导的电子转移后通过复杂的离解进行电荷复合。从该自组装系统观察到可见的光驱动氢产生。这项研究中使用的组装策略可能会在将来用于任何其他氢化酶模型。
• Bis(diphenylphosphino)ferrocene as an intramolecular bridging ligand in <i>N</i>-functionally substituted 1,3-azapropanedithiolate diiron complexes: synthesis and catalysis of proton reduction
  作者：Chang-Gong Li、Song-Lin Wang、Jing-Yan Shang

  DOI：10.1080/00958972.2016.1225296

  日期：2016.10.1

  fully characterized by spectroscopic methods and X-ray crystallography, and the electronic structure of 2 was further investigated by UV–vis. The cyclic voltammetry was conducted and the reduction of protons from CF3SO3H (TfOH), HBF4·Et2O, or CF3COOH (TFA) catalyzed by 2 was observed.

  摘要 1,1'-双(二苯基膦)二茂铁 (dppf) 与 [μ-(SCH2)2NCH2CH2OH]Fe2(CO)6 (A) 或 [μ-(SCH2)2NCH2CH2SAc]Fe2(CO)6 (C) 的反应在回流的二甲苯中产生分子内桥连络合物 [μ-(SCH2)2NCH2CH2OH]Fe2(CO)4(μ-dppf) (1) 或 [μ-(SCH2)2NCH2CH2SAc]Fe2(CO)4(μ-dppf) (2 ) 产量适中。两种配合物的结构都通过光谱方法和 X 射线晶体学进行了充分表征，并且 2 的电子结构通过 UV-vis 进一步研究。进行循环伏安法并观察到由 2 催化的 CF3SO3H (TfOH)、HBF4·Et2O 或 CF3COOH (TFA) 的质子还原。
• Synthetic and structural studies on new diiron azadithiolate (ADT)-type model compounds for active site of [FeFe]hydrogenases
  作者：Li-Cheng Song、Zhao-Jun Xie、Xu-Feng Liu、Jiang-Bo Ming、Jian-Hua Ge、Xiao-Guang Zhang、Tian-Ying Yan、Peng Gao

  DOI：10.1039/c0dt00909a

  日期：——

  A series of new diiron azadithiolate (ADT) complexes (1–8), which could be regarded as the active site models of [FeFe]hydrogenases, have been synthesized starting from parent complex [(μ-SCH2)2NCH2CH2OH]Fe2(CO)6 (A). Treatment of A with ethyl malonyl chloride or malonyl dichloride in the presence of pyridine afforded the malonyl-containing complexes [(μ-SCH2)2NCH2CH2O2CCH2CO2Et]Fe2(CO)6 (1) and [Fe2(CO)6(μ-SCH2)2NCH2CH2O2C]2CH2 (2). Further treatment of 1 and 2 with PPh3 under different conditions produced the PPh3-substituted complexes [(μ-SCH2)2NCH2CH2O2CCH2CO2Et]Fe2(CO)5(PPh3) (3), [(μ-SCH2)2NCH2CH2O2CCH2CO2Et]Fe2(CO)4(PPh3)2 (4), and [Fe2(CO)5(PPh3)(μ-SCH2)2NCH2CH2O2C]2CH2 (5). More interestingly, complexes 1–3 could react with C60 in the presence of CBr4 and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) via Bingel–Hirsch reaction to give the C60-containing complexes [(μ-SCH2)2NCH2CH2O2CC(C60)CO2Et]Fe2(CO)6 (6), [Fe2(CO)6(μ-SCH2)2NCH2CH2O2C]2C(C60) (7), and [(μ-SCH2)2NCH2CH2O2CC(C60)CO2Et]Fe2(CO)5(PPh3) (8). The new ADT-type models 1–8 were characterized by elemental analysis and spectroscopy, whereas 2–4 were further studied by X-ray crystallography and 6–8 investigated in detail by DFT methods.

  从母体[(μ-SCH2)2NCH2CH2OH]Fe2(CO)6（A）开始，合成了一系列新的叠氮二硫酸盐二铁（ADT）配合物（1-8），它们可被视为[FeFe]氢化酶的活性位点模型。在吡啶存在下，用丙二酰氯或丙二酰氯处理 A，可得到含丙二酰氯的络合物 [(μ-SCH2)2NCH2CH2O2CCH2CO2Et]Fe2(CO)6（1）和 [Fe2(CO)6(μ-SCH2)2NCH2CH2O2C]2CH2（2）。在不同条件下，用 PPh3 进一步处理 1 和 2，可生成 PPh3 取代的络合物 [(μ-SCH2)2NCH2CH2O2CCH2CO2Et]Fe2(CO)5(PPh3)(3)、(μ-SCH2)2NCH2CH2O2CCH2CO2Et]Fe2(CO)4(PPh3)2（4）和[Fe2(CO)5(PPh3)(μ-SCH2)2NCH2CH2O2C]2CH2（5）。更有趣的是，配合物 1-3 在 CBr4 和 1,8- 二氮杂双环[5.4.0]十一-7-烯（1,8-diazabicyclo[5.4.0]undec-7-ene）存在下能与 C60 反应。0]十一-7-烯（DBU）通过宾格尔-赫希反应生成含 C60 的复合物[(μ-SCH2)2NCH2CH2O2CC(C60)CO2Et]Fe2(CO)6 (6)、[Fe2(CO)6(μ-SCH2)2NCH2CH2O2C]2C(C60)(7)和[(μ-SCH2)2NCH2CH2O2CC(C60)CO2Et]Fe2(CO)5(PPh3)(8)。新的 ADT 型模型 1-8 通过元素分析和光谱学进行了表征，而 2-4 则通过 X 射线晶体学进行了进一步研究，6-8 则通过 DFT 方法进行了详细研究。
• Two Complementary Approaches to Silicon-Supported Soluble [FeFe]-Hydrogenase Mimics
  作者：Sergio Aguado、Diego J. Vicent、Luis Casarrubios、Carmen Ramírez de Arellano、Miguel A. Sierra

  DOI：10.1021/acs.organomet.2c00277

  日期：2022.11.28

  e (POSS)-based nanostructures containing eight [(μ-SCH2)2NRFe2(CO)6] moieties, have been prepared either by reaction of the corresponding silyl and silyloxy chlorides and compounds 3 and 4 or by CuAAC between propargyl derivatives of silyl and silyloxy chlorides and azide 14. Cycloaddition between POSS-derived azide 23b and [(μ-SCH2)2NRFe2(CO)6] (R = alkyne) complexes 24 and 26 is efficient, leading

  两个系列的硅负载 [(μ-SCH 2 ) 2 N R Fe 2 (CO) 6 ] (R = p -OHC 6 H 4 , 3 , and (CH 2 ) 2 OH, 4a , and (CH 2 ) 5 OH, 4b ) 氢化酶模拟物，以及基于八甲基倍半硅氧烷 (POSS) 的纳米结构，其中包含八个 [(μ-SCH 2 ) 2 N R Fe 2 (CO) 6] 部分，已通过相应的甲硅烷基和甲硅烷氧基氯化物与化合物3和4的反应或通过甲硅烷基和甲硅烷氧基氯化物的炔丙基衍生物与叠氮化物14之间的 CuAAC 反应制备。POSS 衍生的叠氮化物23b和 [(μ-SCH 2 ) 2 N R Fe 2 (CO) 6 ] (R = 炔烃) 配合物24和26之间的环加成是有效的，导致基于 POSS 的纳米结构包含八个 [(μ-SCH 2 ) 2 N R铁2 (CO) 6] 单位。通过这项工作制备的所有复合