trans-Mo(NCH2)Cl(Ph2PCH2CH2PPh2)2 | 124220-19-5

• 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: trans-Mo(NCH2)Cl(Ph2PCH2CH2PPh2)2
• CAS: 124220-19-5
• 化学式: C₅₃H₅₀ClMoNP₄
• 分子量: 956.275
• InChiKey: RJJSGHHHNZXRCO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  11.34
• 重原子数：
  60.0
• 可旋转键数：
  9.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  trans-Mo(NCH2)Cl(Ph2PCH2CH2PPh2)2 在 氧气 作用下， 以 四氢呋喃 为溶剂， 生成 trans-{Mo(NCO)Cl(Ph2PCH2CH2PPh2)2}
  参考文献：
  名称：

  Electrochemistry of ligands multiply bonded to molybdenum and tungsten

  摘要：

  DOI：

  10.1016/s0277-5387(00)80613-0
• 作为产物：
  描述：

  trans-Mo(NCH3)Cl(Ph2PCH2CH2PPh2)2 (1+) 以 四氢呋喃 为溶剂， 生成 trans-Mo(NCH2)Cl(Ph2PCH2CH2PPh2)2
  参考文献：
  名称：

  从金属酰亚胺和分子氮到氨和二氮配合物

  摘要：

  在分子氮下还原钼酰亚胺得到氨和二氮配合物。

  DOI：

  10.1039/c39880001119

文献信息

• Electroreduction of co-ordinated cyanide to the aminocarbyne ligand (CNH2) and a pathway for isomerisation of ligating methyleneamide (NCH2): reactions at molybdenum of relevance to cyanide reduction by nitrogenase
  作者：David L. Hughes、Modher Y. Mohammed、Christopher J. Pickett

  DOI：10.1039/c39890001399

  日期：——

  Electroreduction of trans-[Mo(CN)Cl(Ph2PCH2CH2 PPh2)2] in the presence of phenol gives trans-[Mo(CNH2)Cl(Ph2PCH2 CH2PPh2)2], this is the first example of the conversion of co-ordinated cyanide to the aminocarbyne ligand, a reaction of relevance to reduction of cyanide by nitrogenase; the methyleneamide, trans-[Mo(NCH2)Cl(Ph2PCH2 CH2PPh2)2], is oxidised to the cyanide and therefore the redox reactions

  的电还原反式- [沫（CN）氯（PH 2 PCH 2 CH 2 PPH 2）2 ]在苯酚的存在下使反式- [沫（CNH 2）氯（PH 2 PCH 2 CH 2 PPH 2）2 ]，这是氰化配位化合物转化为氨基碳炔配体的第一个例子，这是与固氮酶还原氰化物有关的反应。亚甲基酰胺，反式-[Mo（NCH 2）Cl（Ph 2 PCH 2 CH 2 PPh 2）2被氧化成氰化物，因此氧化还原反应提供了使基团（MoNCH 2）异构化为（MoCNH 2）的途径。
• Ligand-centred chemistry of molybdenum organoimides. Formation of C–C bonds via generation of nitrogen ylides, stereospecific conversion of an allylimide into alkylvinyl-imides, liberation of cyanoformate or amino acid esters
  作者：Shirley A. Fairhurst、David L. Hughes、Saad K. Ibrahim、Marie-Laurence Abasq、Jean Talarmin、M. Arlete Queiros、Antonio Fonseca、Christopher J. Pickett

  DOI：10.1039/dt9950001973

  日期：——

  The range of imides trans-[MoCl(NCHR(1)R(2))(dppe)(2)](+) made from the nitride trans-[MoCl(N)(dppe)(2)] (dppe = Ph(2)PCH(2)CH(2)PPh(2), R(1) = H or organic group, R(2) = organic group) has been extended; deprotonation of the imide group at the alpha-carbon gives reactive alkenylamides which have nitrogen ylide character Mo=N+-C(-)HR} and these are attacked by electrophiles. Stepwise C-1 homologation of a methylimide to ethyl- and isopropyl-imides can be achieved by successive deprotonation and methylation steps. The crystal structure of the alkenylamide trans-[MoCl(NCHCO(2)Me)(dppe)(2)] has been determined, as has that of the imide produced directly from it by C-methylation, trans [MoClNCH(Me)CO(2)Me}(dppe)(2)](+). Deprotonation at the alpha-carbon of an allylimide complex gives a species which is regioselectively and stereospecifically attacked by electrophiles at the gamma-carbon; when the electrophile is the proton the overall reaction corresponds to a 1,3-prototropic rearrangement of the allylimide to the E-methylvinylimide. Electroreduction of imides in the presence of a source of protons releases the free amine; in this way esters of the amino acids glycine and DL-alanine have been:synthesised. Two protons-can be removed by base from imides with electron-withdrawing ester substituents and free cyanoformate esters are released from-the metal centre by substitution with dinitrogen or CO.