((CH2SCH2C6H2(O)(tBu)2)2)Zr(benzyl)2 | 1307309-15-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ((CH2SCH2C6H2(O)(tBu)2)2)Zr(benzyl)2
• 英文别名: (2,2'-[ethane-1,2-diylbis(sulfanediylmethylene)]bis(4,6-di-tert-butylphenolato))dibenzylzirconium
• CAS: 1307309-15-4；954373-54-7
• 化学式: C₄₆H₆₂O₂S₂Zr
• 分子量: 802.353
• InChiKey: WJRKIEOOJPRJIC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2,2'-[ethane-1,2-diylbis(sulfanediylmethylene)]bis(4,6-di-tert-butylphenol) 、 四苄基锆 以 甲苯 为溶剂， 以82%的产率得到((CH2SCH2C6H2(O)(tBu)2)2)Zr(benzyl)2
  参考文献：
  名称：

  具有[OSSO]型双（酚盐）配体的4族金属配合物的合成，结构和α-烯烃聚合活性

  摘要：

  四齿[OSSO]型双（酚）配体[{2,2'-（HOC 6 H 2 -4,6-R 2）2 CH 2 SCH 2 CH 2 SCH 2 }]（R =  t Bu，2 ; Br，3）与MBz 4（M = Zr，Hf）反应生成相应的二苄基配合物[M {2,2'-（OC 6 H 2 -4,6-R 2）2 CH 2 SCH 2 CH 2 SCH 2 } Bz 2 ]（R = Br，M = Zr，4 Br ; Hf，5溴; R =  t Bu，M = Hf，5）的收率非常好。二酰胺锆配合物[Zr {2,2'-（OC 6 H 2 -4,6-R 2）2 CH 2 SCH 2 CH 2 SCH 2 }（NMe 2）2 ]（R =  t Bu，6 ; Br ，6溴）在相应的二钠盐的反应制备2或3产生的原位用的ZrCl 2（NME 2）2（THF）2。用TMSCl在35°C下加热6，得到二氯锆络合物[Zr {2,2'-（OC

  DOI：

  10.1016/j.jorganchem.2011.01.021

文献信息

• Group 4 Complexes of a New [OSSO]-Type Dianionic Ligand. Coordination Chemistry and Preliminary Polymerization Catalysis Studies
  作者：Ad Cohen、Adi Yeori、Israel Goldberg、Moshe Kol

  DOI：10.1021/ic701370t

  日期：2007.10.1

  A straightforward synthesis of a new type of tetradentate dianionic [OSSO]-type ligand is described. This ligand features an ethylenedithiol core bridged via methylene groups to substituted phenols, thus representing an S analogue of the [ONNO]-type Salan ligands. The [OSSO]H-2 ligand precursor reacted with titanium(IV) isopropoxide and with zirconium(]V) tert-butoxide to give the corresponding [OSSO]-M(OR)(2) complexes, which formed as single C-2-symmetric isomers but were fluxional according to variable-temperature NMR. An X-ray structure of [OSSO]-Zr(O-t-BU)(2) supported the fac-fac wrapping mode of the ligand. The dibenzyl complex [OSSO]-Zr(bn)(2) that was obtained by a reaction between the ligand precursor and tetrabenzylzirconium was found to be an active 1-hexene polymerization catalyst upon activation with B(C6F5)(3), leading to a stereoirregular polymer despite its C-2 symmetry.