MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COCl)C=CH2) | 156842-95-4

• 英文名称: MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COCl)C=CH2)
• 英文别名: MoCl(CO)2(1,10-phenanthroline)(CO)2(η(3)-C4H4C(O)Cl)；[MoCl(CO)2(η(3)-CH2C(COCl)C=CH2)(1,10-phenanthroline)]；[MoCl(CO)2(η3-CH2C(COCl)CCH2)(1,10-phenanthroline)]；MoCl(CO)2(η3-CH2C(COCl)CCH2)(1,10-phenanthroline)；[MoCl(CO)2(η(3)-CH2C(COCl)C=CH2)(phen)]；[MoCl(CO)2(η3-CH2C(COCl)CCH2)(phen)]
• CAS: 156842-95-4
• 化学式: C₁₉H₁₂Cl₂MoN₂O₃
• 分子量: 483.162
• InChiKey: RVLNFWGHYNOGOH-UHFFFAOYSA-M

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：

  MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COCl)C=CH2) 在 MeOH 作用下， 以 四氢呋喃 为溶剂， 生成 MoCl(CO)2(η3-CH2C(C(O)O(methyl)C(O(methyl)(methyl))(1,10-phenanthroline)
  参考文献：
  名称：

  Brisdon, Brian J.; Hodson, Annabelle G. W.; Mahon, Mary F., Organometallics, 1994, vol. 13, # 7, p. 2566 - 2568

  摘要：

  DOI：
• 作为产物：
  描述：

  Ph4P{MoCl(CO)3(1,10-phenanthroline)} 、 1,4-二氯-2-丁炔 以 氯仿 为溶剂， 生成 MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COCl)C=CH2)
  参考文献：
  名称：

  Brisdon, Brian J.; Hodson, Annabelle G. W.; Mahon, Mary F., Organometallics, 1994, vol. 13, # 7, p. 2566 - 2568

  摘要：

  DOI：

文献信息

• One pot synthesis of η3-butadienyl complexes of Mo(II) or W(II): Crystal structure of [MoCl(CO)2(η3-CH2C(CONHCH2CCH)CCH2)(2,2′-bipyridine)]
  作者：Annabelle G.W. Hodson、Simon J. Coles、Michael B. Hursthouse

  DOI：10.1016/j.poly.2006.10.040

  日期：2007.4

  examined in chlorinated solvents over the range 40–129 °C. Production of either [MCl(CO)2(η3-CH2C(COCl)C CH2)L2] (4) or [MCl2(CO)(η2-ClCH2C CCH2Cl)L2] was found to be dependent upon the solvent temperature, and these reactions were found to be insensitive to the presence of water. Under controlled conditions, one pot reactions carried out in the presence of alcohols, amines or thiols gave related ester,

  摘要[M（CO）4L2]的一锅反应（M = Mo，L2 = 2,2'-联吡啶，1,10-菲咯啉; M = W，L2 = 2,9-二甲基-1,10-菲咯啉）在40–129°C的氯化溶剂中使用1,4-二氯-2-丁炔和Ph4PCl进行了检测。发现[MCl（CO）2（η3- C（COCl）C CH2）L2]（4）的产生或[MCL2（CO）（η2-Cl CC Cl）L2]取决于溶剂温度，这些发现反应对水的存在不敏感。在受控条件下，在醇，胺或硫醇的存在下进行一锅反应，以高收率得到相关的酯，酰胺或硫酯取代的η3-丁二烯基络合物。炔丙基酰胺配合物的结构通过X射线分析确认。
• Synthesis and reactivity of organochalogen ester substituted η3-butadienyl complexes of Mo(II): crystal structure of [MoCl(CO)2(η3-CH2C(COSePh)CCH2)(1,10-phenanthroline)]·0.5 CH2Cl2
  作者：Annabelle G.W Hodson、Rupinder K Thind、Mary McPartlin

  DOI：10.1016/s0022-328x(02)02023-5

  日期：2002.12

  A series of organochalcogen ester substituted η3-butadienyl complexes of the type [MoCl(CO)2(η3-CH2C(COXR)CCH2)(phen)]n (phen=1,10-phenanthroline, R=alkyl, aryl) were prepared from the acyl chloride precursor (1) and either thiols (X=S, n=1–4), selenols (X=Se, n=1,2) or bis(organochalcogen) mercurials, Hg[XR]2 (X=Se, Te, n=1,2), and the structure of the first selenoester substituted η3-butadienyl

  一系列organochalcogen酯取代的η 3 -butadienyl的类型的配合物[代替MoCl（CO）2（η 3 -CH 2 C（COXR）CCH 2）（phen）的] Ñ（苯= 1,10-菲咯啉，R =烷基，芳基）是由酰氯前体（1）和硫醇（X = S，n = 1–4），硒醇（X = Se，n = 1,2）或双（有机och ）汞，汞制备的[XR] 2（X =硒，碲，ñ = 1,2），并且所述第一硒代酯的结构取代η 3 -butadienyl络合物（4通过单晶X射线衍射分析确定）。与各种亲核或亲电反应的1，4或取代的配合物，XR = OME酯，进行了检查，并与那些相关的η 3 -烯丙基类似物和它们的预测的行为基于结构证据和分子建模计算。
• Dimeric and trimeric molybdenum(II) complexes containing 2-substituted η3-bonded butadienyl bridging ligands
  作者：Annabelle G.W. Hodson

  DOI：10.1016/s0022-328x(97)00456-7

  日期：1997.12

  ratio gave dimeric complexes [MoCl(CO)2(η3-CH2(COACH2)C=CH2)phen]2 containing two molybdenum centres bridged by a pair of η3-bonded butadienyl units linked by 2-substituted ester (A = O) or amide (A = NEt) groups. Analogous reactions involving hydroquinone or 1,4-phenylenediamine led to monomeric complexes of the type [MoCl(CO)2(η3-CH2(COA)C=CH2)phen] (A = OC6H4OH, NHC6H4NH2), however, dimeric complexes

  的反应[代替MoCl（CO）2（η 3 -CH 2（氯化钴）C = CH 2）苯]（苯= 1,10-菲咯啉）（1）与1,2-乙二醇或N，N- '-diethylethylenediamine在2：1的摩尔比，得到的二聚配合物[代替MoCl（CO）2（η 3 -CH 2（COACH 2）C = CH 2）苯] 2个含有两个钼中心桥接由一对η 3通过2-取代的酯（A = O）或酰胺（A = NEt）基团连接的键合丁二烯基单元。涉及氢醌或1,4-苯二胺引发的类型[代替MoCl（CO）的单体配合物的类似反应2（η 3 -CH 2（COA）C = CH 2）苯]（A = OC 6 H ^ 4 OH，NHC 6然而，从涉及4,4'-亚乙基二苯胺或对苯二甲撑二胺的反应中分离出二聚配合物H 4 NH 2）。尝试使用二亚乙基三胺制备由三个连接的酰胺取代的丁二烯基桥接的新型配合物，但是，反应1在3和三乙醇胺或
• Solvent-controlled formation of η3-butadienyl or η3-allyl group 6 transition metal complexes in water or alcohols
  作者：Annabelle G.W Hodson、Rupinder K Thind、Oliver Granville-George

  DOI：10.1016/j.jorganchem.2004.03.037

  日期：2004.6

  Preparation of acyl chloride, ester, amide or thioester-substituted eta(3)-butadienyl complexes of the type [MCl(CO)(2)(eta(3)-CH2C(COXR)C=CH2)(L-2)] (M = Mo,W; XR = Cl, OR, NHR, SR; L-2 = 1,10-phenanthroline (phen), 2,9-dimethyl-1,10-phenanthroline) from 1,4-dichloro-2-butyne and Ph4P[MCl(CO)(3)(L-2)] in water resulted in improved yields (M = Mo) and recycling of reagents. Whilst analogous reactions in anhydrous methanol to yield either substituted eta(3)-butadienyl (XR = OR) or eta(3)-allyl [MoCl(CO)(2)(eta(3)-CH2C(CO2R)C(OR)Me)(phen)] were dependent upon the presence of organic bases or ethers, reactions in propanol or butanol gave the eta(3)-butadienyl complexes only. Possible mechanisms are discussed. Halide extraction from ester or amide butadienyl complexes in hydroxylic solvents gave highly reactive cations of the type [Mo(CO)(2)(eta(3)-butadienyl)(phen)(solvent](+), and carboxylate products were obtained by displacement of metal-bound solvent by glucuronate or hydroxybutyrate ions. (C) 2004 Elsevier B.V. All rights reserved.
• Synthesis and characterisation of monomeric and dimeric 2-substituted η3-bonded butadienyl complexes of molybdenum(II)
  作者：Annabelle G.W. Hodson、Stephen M. Saunders

  DOI：10.1016/s0022-328x(96)06450-9

  日期：1996.11

  Addition of excess thiol RSH (R = Et, Pr-n, Pr-i, (n)Bu or (i)Bu) to solutions of [MoCl(CO)(2)(eta(3)-CH2C(COCl)C=CH2)(phen)] (1) (phen = 1,10-phenanthroline) gave good yields of the complexes [MoCl(CO)(2)(eta(3)-CH2C(COSR)C=CH2)(phen)], containing a 2-substituted butadienyl ligand. On reaction of 1 with 1,2-ethanedithiol in 2:1 molar ratio under basic conditions, dimeric complexes were obtained containing two metal centres bridged by a pair of 2-substituted butadienyl groups linked by the dithiol unit. Analogous dimeric complexes containing linked amido eta(3)-butadienyl groups were isolated from a similar 2:1 reaction of 1 and diamines RHN(CH2)(2)NHR (R = H or Me). However, reactions involving 1 and mixed bifunctional reactants HA(CH2)(2)BH (A = NH, B = O, S or A = O, B = S) under the same conditions gave monomeric complexes exclusively, the less electonegative atom of the donor pair remaining unreacted.