10,37-dimethyl-2-(undec-10-en-1-yl)-12,13,15,16,31,32,34,35-octahydrotetranaphtho[2,1-h:1',2'-j:2'',1''-s:1''',2'''-u][1,4,7,12,15,18]hexaoxacyclodocosine | 147749-77-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 10,37-dimethyl-2-(undec-10-en-1-yl)-12,13,15,16,31,32,34,35-octahydrotetranaphtho[2,1-h:1',2'-j:2'',1''-s:1''',2'''-u][1,4,7,12,15,18]hexaoxacyclodocosine
• CAS: 147749-77-7
• 化学式: C₆₁H₆₄O₆
• 分子量: 893.176
• InChiKey: AFMJQKQGEWTNMR-UHFFFAOYSA-N

物化性质

• 密度：
  1.114±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15.36
• 重原子数：
  67.0
• 可旋转键数：
  10.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  10,37-dimethyl-2-(undec-10-en-1-yl)-12,13,15,16,31,32,34,35-octahydrotetranaphtho[2,1-h:1',2'-j:2'',1''-s:1''',2'''-u][1,4,7,12,15,18]hexaoxacyclodocosine 、 alkaline earth salt of/the/ methylsulfuric acid 在 dichloro(1,5-cyclooctadiene)platinum(II) 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 72.0h， 以97%的产率得到C₁₃₄H₁₆₆O₁₈Si₆
  参考文献：
  名称：

  Monofunctional chiral crowns. Part 1

  摘要：

  A siloxane oligomer bearing a chiral crown with high affinity for alpha-amino acids has been synthesised. The host is a modified form of a coronand first prepared by Cram, in which two 1,1'-binaphthol system are linked through the oxygen atoms at the 2,2'-positions to form a 22-membered ring system containing six ether oxygen atoms attached to each other by four ethylene units. This was selectively mono-alkenylated to form an undec-10-en-1-yl derivative, which was bonded to linear siloxanes [HSiMe2O(SiMe2O)nSiMe2H] and [Me3SiO(Me2SiO)x(MeHSiO)ySiMe3] with total chain lengths of ca 4 and 200 Si atoms respectively, via a Pt catalysed hydrosilylation reaction.

  DOI：

  10.1016/s0040-4020(01)86291-8
• 作为产物：
  描述：

  (-)-2,2'-di(2-methoxyethoxymethyloxy)-3,3'-dimethylbinaphthyl 在 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 咪唑 、 氢氧化钾 、 四丁基氟化铵 、 氢溴酸 、 溴 、 magnesium 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 278.5h， 生成 10,37-dimethyl-2-(undec-10-en-1-yl)-12,13,15,16,31,32,34,35-octahydrotetranaphtho[2,1-h:1',2'-j:2'',1''-s:1''',2'''-u][1,4,7,12,15,18]hexaoxacyclodocosine
  参考文献：
  名称：

  Monofunctional chiral crowns. Part 1

  摘要：

  A siloxane oligomer bearing a chiral crown with high affinity for alpha-amino acids has been synthesised. The host is a modified form of a coronand first prepared by Cram, in which two 1,1'-binaphthol system are linked through the oxygen atoms at the 2,2'-positions to form a 22-membered ring system containing six ether oxygen atoms attached to each other by four ethylene units. This was selectively mono-alkenylated to form an undec-10-en-1-yl derivative, which was bonded to linear siloxanes [HSiMe2O(SiMe2O)nSiMe2H] and [Me3SiO(Me2SiO)x(MeHSiO)ySiMe3] with total chain lengths of ca 4 and 200 Si atoms respectively, via a Pt catalysed hydrosilylation reaction.

  DOI：

  10.1016/s0040-4020(01)86291-8