2,12-di-tert-butyl-13b-(5-(tert-butyl)-2-(methoxymethyl)phenyl)-9,13b-dihydro-5H-benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinine 7-oxide | 866218-05-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: 2,12-di-tert-butyl-13b-(5-(tert-butyl)-2-(methoxymethyl)phenyl)-9,13b-dihydro-5H-benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinine 7-oxide
• CAS: 866218-05-5
• 化学式: C₃₅H₄₅O₄P
• 分子量: 560.714
• InChiKey: NOZIURWBPPCBBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.27
• 重原子数：
  40.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,12-di-tert-butyl-13b-(5-(tert-butyl)-2-(methoxymethyl)phenyl)-9,13b-dihydro-5H-benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinine 7-oxide 、 三氟甲烷磺酸甲酯 以79%的产率得到2,12,19-tri-tert-butyl-5H,9H-7,13b-(epoxymethano[1,2]benzeno)benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinin-7-ium trifluoromethanesulfonate
  参考文献：
  名称：

  Chemistry of Carbaphosphatranes

  摘要：

  A 5-carbaphosphatrane and a 6-carbaphosphatrane were synthesized by utilizing triarylmethyl-type tetradentate ligands. Their structures were determined by X-ray crystallographic analysis to reveal that they have nealy ideal trigonal bipyramidal structures with a perfectly anti-apicophilic arrangement. (1)J(PH) and (1)J(PC) values of carbaphosphatranes were shown to be extraordinarily large as an apical coupling constant. The reactivities of carbaphosphatranes based on the tautomerization with their corresponding phosphonites were demonstrated in some reactions.

  DOI：

  10.1080/10426500701734398
• 作为产物：
  描述：

  在 双氧水 作用下， 以 水 为溶剂， 生成 2,12-di-tert-butyl-13b-(5-(tert-butyl)-2-(methoxymethyl)phenyl)-9,13b-dihydro-5H-benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinine 7-oxide
  参考文献：
  名称：

  Chemistry of Carbaphosphatranes

  摘要：

  A 5-carbaphosphatrane and a 6-carbaphosphatrane were synthesized by utilizing triarylmethyl-type tetradentate ligands. Their structures were determined by X-ray crystallographic analysis to reveal that they have nealy ideal trigonal bipyramidal structures with a perfectly anti-apicophilic arrangement. (1)J(PH) and (1)J(PC) values of carbaphosphatranes were shown to be extraordinarily large as an apical coupling constant. The reactivities of carbaphosphatranes based on the tautomerization with their corresponding phosphonites were demonstrated in some reactions.

  DOI：

  10.1080/10426500701734398