tetramethyl-2-butenediylidenebis(tri(4-methoxyphenyl)phosphorane)-1,2,3,4-tetracarboxylate | 142013-28-3

• 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: tetramethyl-2-butenediylidenebis(tri(4-methoxyphenyl)phosphorane)-1,2,3,4-tetracarboxylate
• CAS: 142013-28-3
• 化学式: C₅₄H₅₄O₁₄P₂
• 分子量: 988.962
• InChiKey: HUWNOWFIDRKHIE-UHFFFAOYSA-N

物化性质

• 沸点：
  972.2±75.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.36
• 重原子数：
  70.0
• 可旋转键数：
  18.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  160.58
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  tetramethyl-2-butenediylidenebis(tri(4-methoxyphenyl)phosphorane)-1,2,3,4-tetracarboxylate 、 manganese(II) thiocyanate 以 正戊烷 为溶剂， 生成 Mn(tetramethyl-2-butenediylidenebis(tri(4-methoxyphenyl)phosphorane)-1,2,3,4-tetracarboxylate)(NCS)2
  参考文献：
  名称：

  The synthesis of Mn(bR3Pc)nX2 (bR3Pc=tetramethyl-2-butenediylidenebis( triorganophosphorane)-1,2,3,4-tetracarboxylate; n= 1 or 2) complexes from the reaction of Mn(phosphine)nX2 (X=I, NCS) with dma (dma=dimethylacetylenedicarboxylate) or the reaction of MnX2 with bR3Pc

  摘要：

  Adducts of the type Mn(bR3Pc)(n)X2 (n = 1 or 2; X = I or NCS) can be prepared either from the reaction of the appropriate Mn(phosphine)(n)X2 (phosphine = (4-CH3C6H4)3P, (4-CH3OC6H4)3P, Ph2MeP, Ph3P; n = 1 or 2) complex with dma or from the appropriate MnX2 salt with the preformed bR3Pc. Elemental analyses, IR, ESR and C-13 and P-31 NMR spectra have been used to characterise the products and intermediates, and based on these data a structure is proposed for the Mn(bR3Pc)nX2 complexes involving coordination of carbonyl groups of bR3Pc to the manganese atoms, Under the conditions employed in this study it appears that the MnX2 salts do not directly react with dma.

  DOI：

  10.1016/s0020-1693(00)80763-x