1,7-bis(2',6',7'-trioxa-1'-thio-1'-phosphabicyclo[2.2.2]-octyl-4')-4,4-bis(5'',5''-dimethyl-O,O-1'',3''-propylene-2''-oxymethylphosphite)-2,6-dioxaheptane | 1232960-47-2

• 英文名称: 1,7-bis(2',6',7'-trioxa-1'-thio-1'-phosphabicyclo[2.2.2]-octyl-4')-4,4-bis(5'',5''-dimethyl-O,O-1'',3''-propylene-2''-oxymethylphosphite)-2,6-dioxaheptane
• 英文别名: 1,7-bis(2',6',7'-trioxa-1'-thio-1'-phosphabicyclo[2.2.2]octyl-4')-4,4-bis(5'',5''-dimethyl-O,O-1'',3''-propylene-2''-oxymethylphosphite)-2,6-dioxaheptane
• CAS: 1232960-47-2
• 化学式: C₂₅H₄₄O₁₄P₄S₂
• 分子量: 756.643
• InChiKey: GBKSVQQYIPYCII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.21
• 重原子数：
  45.0
• 可旋转键数：
  14.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  129.22
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  1,7-bis(2',6',7'-trioxa-1'-thio-1'-phosphabicyclo[2.2.2]-octyl-4')-4,4-bis(5'',5''-dimethyl-O,O-1'',3''-propylene-2''-oxymethylphosphite)-2,6-dioxaheptane 在 sulfur 作用下， 以 1,4-二氧六环 为溶剂， 以73%的产率得到1,7-bis(2',6',7'-trioxa-1'-thio-1'-phosphabicyclo[2.2.2]octyl-4')-4,4-bis(5'',5''-dimethyl-O,O-1'',3''-propylene-2''-oxymethylthionophosphate)-2,6-dioxaheptane
  参考文献：
  名称：

  Tripentaerythritol in the synthesis of new types of framework bicyclophosphites

  摘要：

  Regioselective reaction of tripentaerythritol with phosphorous hexaethyltriamide resulted in the preparation of singular framework bisbicyclophosphite. A study of chemical characteristics of the obtained product is started.

  DOI：

  10.1134/s1070363209120081
• 作为产物：
  描述：

  1,7-bis(2',6',7'-trioxa-1'-thio-1'-phosphabicyclo[2.2.2]octyl-4')-4,4-bishydroxymethyl-2,6-dioxaheptane 、 2-氯-5,5-二甲基-1,3,2-二氧磷杂环己烷 在 吡啶 作用下， 以 1,4-二氧六环 为溶剂， 以81.2%的产率得到1,7-bis(2',6',7'-trioxa-1'-thio-1'-phosphabicyclo[2.2.2]-octyl-4')-4,4-bis(5'',5''-dimethyl-O,O-1'',3''-propylene-2''-oxymethylphosphite)-2,6-dioxaheptane
  参考文献：
  名称：

  Tripentaerythritol in the synthesis of new types of framework bicyclophosphites

  摘要：

  Regioselective reaction of tripentaerythritol with phosphorous hexaethyltriamide resulted in the preparation of singular framework bisbicyclophosphite. A study of chemical characteristics of the obtained product is started.

  DOI：

  10.1134/s1070363209120081