| 63301-82-6

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• CAS: 63301-82-6
• 化学式: C₈H₂₄Cl₂Mo₂N₄
• 分子量: 439.091
• InChiKey: NZMSSBKYFZRVTI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.42
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.96
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 甲基苯锂 以 正己烷 为溶剂， 以78%的产率得到1,2-di-p-tolyltetrakis(dimethylamido)dimolybdenum
  参考文献：
  名称：

  1,2-Dibenzyl- and 1,2-diaryltetrakis(dimethylamido)dimolybdenum and -ditungsten compounds: M2R2(NMe2)4 (M.tplbond.M). Structural effects of Me2N-to-M .pi. bonding

  摘要：

  DOI：

  10.1021/ja00343a015

文献信息

• Triple bonds between molybdenum and tungsten atoms supported by selenolate ligands: M2(SeAr)6 and M2(OPri)2(SeAr)4(Ar = mesityl)
  作者：Malcolm H. Chisholm、Ivan P. Parkin、John C. Huffman、William B. Streib

  DOI：10.1039/c39900000920

  日期：——

  The reactions between M2(NMe2)6 and mesityl (Ar) selenol (>6 equiv.) in toluene yield M2(SeAr)6 compounds as red-brown crystals while related reactions involving M2(OR)6 yield M2(SeAr)6 and M2(OR)2(SeAr)4 compounds which have been characterized by single-crystal X-ray crystallography and shown to contain a central (MM)6+ unit supported by selenolate ligands, M = Mo or W.

  M 2（NMe 2）6与均三（Ar）硒醇（> 6当量）在甲苯中的反应产生呈棕褐色晶体的M 2（SeAr）6化合物，而涉及M 2（OR）6的相关反应则产生M 2（SeAr）6和M 2（OR）2（SeAr）4化合物，已通过单晶X射线晶体学表征，显示含有由硒酸酯配体支撑的中心（M M）6+单元，M = Mo或W.
• Preparation and characterization of 1,2-dialkyl compounds of dimolybdenum and ditungsten of formula M2R2(NMe2)4 (M.tplbond.M)
  作者：M. H. Chisholm、D. A. Haitko、K. Folting、J. C. Huffman

  DOI：10.1021/ja00404a012

  日期：1981.7

  Abstract : 1,2-M2Cl2 (NMe2)4 compounds, where M = Mo and W, and alkyllithium reagents react in hydrocarbon solvents to give 1,2-M2R2 (NMe2)4 compounds (M-triple bond M), where R = CH2CH3, -Ch2CD3, -CD2CH3, -CH2CH2CH2CH3, -CH(CH3)2, -CH-(CH3)(C2H5), -CH2C(CH3)3, -CH2Si(CH3)3 and -C(CH3)3. These new compounds have been characterized by a combination of physicochemical studies, which include elemental

  摘要: 1,2-M2Cl2 (NMe2)4 化合物，其中 M = Mo 和 W，与烷基锂试剂在烃类溶剂中反应生成 1,2-M2R2 (NMe2)4 化合物（M-三键 M），其中 R = CH2 、-Ch2CD3、-CD2 、-CH2CH2CH2 、-CH(CH3)2、-CH-( )(C2H5)、-CH2C( )3、-CH2Si( )3和-C( )3。这些新化合物的特征是结合了物理化学研究，包括元素分析、质谱、红外光谱和核磁共振光谱。R = CH2 和 -CH( )2 的钼化合物已通过单晶 X 射线衍射研究进行了检查。表征数据确定所有化合物都具有交错的类乙烷 M2N4C2 核。在溶液中，核磁共振研究揭示了反旋转异构体和 gauche 旋转异构体的混合物的存在：随着烷基的体积增加，gauche rotamer 越来越受到青睐。在结晶状态下，已经通过 X 射线研究充分表征了
• Synthesis and characterization of M2(EPh3)2(NMe2)4 compounds (E = C, Si, Ge, Sn; M = Mo, W)
  作者：Malcolm H. Chisholm、Gennaro J. Gama、Ivan P. Parkin

  DOI：10.1016/s0277-5387(00)81554-5

  日期：1993.4

  The reaction between M2Cl2(NMe2)4 and LiEPh3 (2 equivalents) (M = W; E = C, Si, Ge, Sn; M = Mo; E = Si, Ge, Sn) in toluene/THF at room temperature produces a precipitate of M2(EPh3)2(NMe2)4 in 35-65% isolated yield. The compounds are air-, water- and light-stable for prolonged periods in the solid state (except when E = C). All are soluble in aromatic hydrocarbon solvents and decompose on heating at 161-270-degrees-C. They were characterized by IR, UV, mass spectrometry and VT H-1 NMR. The latter revealed only the anti isomer in solution with T(c) greater-than-or-equal-to 115-degrees-C and DELTAG(dagger) greater-than-or-equal-to 74 kJ mol-1 for the amide rotation (M = W, Mo; E = Si, Ge). For W2(SnPh3)2(NMe2)4 a coalescence point of T(c) = 75-degrees-C (DELTAG(dagger) = 70 kJ mol-1) was observed and the compound slowly isomerizes to a mixture of the gauche and anti configurations.
• Reactions of metal-metal multiple bonds. 8. Forming molybdenum-molybdenum quadruple bonds by reductive elimination (alkyl group disproportionation) in the reactions of 1,2-Mo2R2(NMe2)4 compounds (M.tplbond.M) with carbon dioxide and 1,3-diaryltriazines
  作者：M. J. Chetcuti、M. H. Chisholm、Folting K.、D. A. Haitko、J. C. Huffman

  DOI：10.1021/ja00372a009

  日期：1982.4
• Ring-Opening of σ-Thienyl and σ-Furyl Ligands at Ditungsten (M⋮M) Centers
  作者：Malcolm H. Chisholm、Scott T. Haubrich、John C. Huffman、William E. Streib

  DOI：10.1021/ja962978v

  日期：1997.2.1

  A series of compounds of formula 1,2-M(2)(sigma-Th)(2)(NMe(2))(4), 1, has been prepared, where M = Mo and/or W and Th = 2-thienyl[2-Th], 3-thienyl[3-Th], 5-methyl-2-thienyl[2,5-MeTh], and 2-benzothienyl[2-BTh]. In hydrocarbon solvents-these compounds exist as a mixture of anti and gauche rotamers having a central CN(2)M=MN(2)C core. Addition of (t)BuOH or CF(3)Me(2)COH to hydrocarbon solutions of 1, where M = W, lead to ring-opened products, 2, when the thienyl ligand is attached via the 2-carbon position. No ring-opening occurs for 3-thienyl derivatives. W-2(OR)(5) (mu-CCH2CHCHS) (sigma-2-Th), 2, where one of the 2-thienyl rings has been opened, has been fully characterized and shown to be derived from a ring-opened mu-vinylidene intermediate W-2(O(t)Bu)(4)(mu-CCHCHCHS)(sigma-2-Tn). Rather interestingly, the compound W-2(sigma-2-Th)(NMe(2))(5) reacts with (t)BuOH to give only W-2(2-Th)(O(t)Bu)(5) and HNMe(2). Reactions between 1 and the less sterically demanding alcohols (PrOH)-Pr-i and (t)BuCH(2)OH lead to W-2(OR)(6) compounds with liberation of HNMe(2) and the sulfur containing hydrocarbon. Compound 1 (M = W, 2-Th) reacts with CO2 to give W-2(NMe(2))(2)(O-2(NMe(2))(2)(sigma 2-Th)(2), 3, while with pivalic anhydride W-2(O(2)C(t)Bu)(4) is formed via reductive elimination of the C-C coupled product 2,2'-bithiophene and (t)BuCONMe(2) (4 equiv). 1 (M = W, 2-Th) and CO yield a product formulated as W-2(NMe(2))(4)(mu-CCHCHCHS)(sigma-2-Th)(CO)(3) wherein one ring has opened to form a mu-vinylidene thiolate Ligand. Attempts to prepare 1,2-W(2)L(2)(NMe(2))(4) compounds are described where L = an eta(1)- nitrogen containing heterocycle but only for L = 2-methylindolyl was a compound successfully characterized, Reactions of these compounds with (t)BuOH gave W-2(O(t)Bu)(6) and LH (2 equiv). The compound W-2(sigma-2-FU)(2)(NMe(2))(4) was prepared and characterized (2-Fu = 2-furyl) and shown to undergo ring-opening in its reaction with (t)BuOH to give W-2(O(t)Bu)(5)(mu u-CCH2CHCHO) (sigma-2-Fu), 4, in an analogous manner to the 2-Th complex. The complexes 1 (M = W, 2-Th), 2, 3, and 4 have been characterized by single crystal X-ray studies. The results described herein are compared to other ring-opening reactions of S, N, and O organic heterocyclic compounds as models for the activation of S, N, and O containing fossil fuels in hydrodesulfurization (HDS), hydrodenitrogenation (HDN), and hydrodeoxygenation (HDO) processes. The cleavage of the C-X bonds at the (M=M)(6+) centers (M = Mo, W and X = S, N and O) is also compared with earlier cleavage reactions involving C=O, RC=N, R(2)C=O, and Ar2C=S compounds.