[4-Tert-butyl-2-(2,12-ditert-butyl-5,9-dihydro-[2,3]benzoxaphosphinino[3,4-c][2,3]benzoxaphosphinin-13b-yl)phenyl]methanol | 866218-09-9

• 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: [4-Tert-butyl-2-(2,12-ditert-butyl-5,9-dihydro-[2,3]benzoxaphosphinino[3,4-c][2,3]benzoxaphosphinin-13b-yl)phenyl]methanol
• 英文别名: [4-tert-butyl-2-(2,12-ditert-butyl-5,9-dihydro-[2,3]benzoxaphosphinino[3,4-c][2,3]benzoxaphosphinin-13b-yl)phenyl]methanol
• CAS: 866218-09-9
• 化学式: C₃₄H₄₃O₃P
• 分子量: 530.687
• InChiKey: PCPRUDAYXIKBBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,12,19-tri-tert-butyl-5H,7H,9H-7l5-7,13b-(epoxymethano[1,2]benzeno)benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinine 以 苯 为溶剂， 生成 [4-Tert-butyl-2-(2,12-ditert-butyl-5,9-dihydro-[2,3]benzoxaphosphinino[3,4-c][2,3]benzoxaphosphinin-13b-yl)phenyl]methanol
  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

文献信息

• Chemistry of Carbaphosphatranes
  作者：Takayuki Kawashima

  DOI：10.1080/10426500701734398

  日期：2008.1.14

  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.