N,N,N',N'-Tetraethyl-[4-(1-{4-[1-(4-{[1,1-bis(diethylamino)phosphino]oxy}-3,5-dimethylphenyl)-1-methylethyl]phenyl}-1-methylethyl)-2,6-dimethylphenyl]-phosphordiamidit | 272460-91-0

• 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: N,N,N',N'-Tetraethyl-[4-(1-{4-[1-(4-{[1,1-bis(diethylamino)phosphino]oxy}-3,5-dimethylphenyl)-1-methylethyl]phenyl}-1-methylethyl)-2,6-dimethylphenyl]-phosphordiamidit
• CAS: 272460-91-0
• 化学式: C₄₄H₇₂N₄O₂P₂
• 分子量: 751.029
• InChiKey: OGZMTRREXFBMMV-UHFFFAOYSA-N

物化性质

• 沸点：
  721.3±70.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.15
• 重原子数：
  52.0
• 可旋转键数：
  20.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  31.42
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  α,α'-二(4-羟基苯基)-1,4-二异丙基苯 、 N,N,N',N'-Tetraethyl-[4-(1-{4-[1-(4-{[1,1-bis(diethylamino)phosphino]oxy}-3,5-dimethylphenyl)-1-methylethyl]phenyl}-1-methylethyl)-2,6-dimethylphenyl]-phosphordiamidit 以 甲苯 为溶剂， 反应 48.0h， 以4.8%的产率得到N13,N13,N30,N30-Tetraethyl-2,2,7,7,19,19,24,24-octamethyl-12,14,29,31-tetraoxa-13,30-diphosphaheptacyclo-[30.2.2.2^3,6.2^8,11.2^15,18.2^20,23.2^25,28]hexatetraconta-1(34),3,5,8,10,15,17,20,22,25,27,32,35,37,39,41,43,45-octadecaen-13,30-diamin
  参考文献：
  名称：

  SYNTHESE SYMMETRISCHER, MAKROCYCLISCHER PHOSPHORAMIDITE

  摘要：

  The reaction of phosphorous ester diamide 1 with bisphenol 2 did not lead to the expected asymmetric macrocycle 3 but instead in low yield to the symmetric macrocycle 4. The structure of the trans-isomer of 4 was determined by X-ray diffractometry. The same phenomenon was observed in the reaction of phosphorous ester diamide 5 with bisphenol 6, affording the symmetric macrocycle 7 as a mixture of cis-and trans-isomers. These results can only be explained by transesterification reactions which occur prior to the esterification of the phosphorous amide function.

  DOI：

  10.1080/10426509808045481
• 作为产物：
  描述：

  α,α'-双(4-羟基-3,5-二甲苯基)-1,4-二异丙苯 、 六乙基亚磷酸胺 以 甲苯 为溶剂， 反应 3.0h， 以91%的产率得到N,N,N',N'-Tetraethyl-[4-(1-{4-[1-(4-{[1,1-bis(diethylamino)phosphino]oxy}-3,5-dimethylphenyl)-1-methylethyl]phenyl}-1-methylethyl)-2,6-dimethylphenyl]-phosphordiamidit
  参考文献：
  名称：

  SYNTHESE SYMMETRISCHER, MAKROCYCLISCHER PHOSPHORAMIDITE

  摘要：

  The reaction of phosphorous ester diamide 1 with bisphenol 2 did not lead to the expected asymmetric macrocycle 3 but instead in low yield to the symmetric macrocycle 4. The structure of the trans-isomer of 4 was determined by X-ray diffractometry. The same phenomenon was observed in the reaction of phosphorous ester diamide 5 with bisphenol 6, affording the symmetric macrocycle 7 as a mixture of cis-and trans-isomers. These results can only be explained by transesterification reactions which occur prior to the esterification of the phosphorous amide function.

  DOI：

  10.1080/10426509808045481