(ioio)-1,21,23,25-Tetramethyl-5,9,13,17-tetraethoxy-2,20:3,19-dimetheno-1H,21H,23H,25H-bis<1,3,2λ⁵>dioxaphosphocino<5,4-i:5',4'-i'>benzo<1,2-d:5,4-d'>bis<1,3,2λ⁵>benzodioxaphosphocin

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: (ioio)-1,21,23,25-Tetramethyl-5,9,13,17-tetraethoxy-2,20:3,19-dimetheno-1H,21H,23H,25H-bis<1,3,2λ⁵>dioxaphosphocino<5,4-i:5',4'-i'>benzo<1,2-d:5,4-d'>bis<1,3,2λ⁵>benzodioxaphosphocin
• 英文别名: (ioio)-1,21,23,25-Tetramethyl-5,9,13,17-tetraethoxy-2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3,2λ⁵]dioxaphosphocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3,2λ⁵]benzodioxaphosphocin；3,9,15,21-Tetraethoxy-25,29,33,37-tetramethyl-2,4,8,10,14,16,20,22-octaoxa-3lambda5,9lambda5,15lambda5,21lambda5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide；3,9,15,21-tetraethoxy-25,29,33,37-tetramethyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide
• 化学式: C₄₀H₄₄O₁₆P₄
• 分子量: 904.675
• InChiKey: WZMRQZTXULWGRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  60
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  179
• 氢给体数：
  0
• 氢受体数：
  16

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	Calix[4]resorcinarene	443770-31-8	C32H32O8	544.601

反应信息

• 作为产物：
  描述：

  Calix[4]resorcinarene 、 二氯磷酸乙酯 生成 (ioio)-1,21,23,25-Tetramethyl-5,9,13,17-tetraethoxy-2,20:3,19-dimetheno-1H,21H,23H,25H-bis<1,3,2λ⁵>dioxaphosphocino<5,4-i:5',4'-i'>benzo<1,2-d:5,4-d'>bis<1,3,2λ⁵>benzodioxaphosphocin
  参考文献：
  名称：

  Lippmann Tino, Wilde Horst, Dalcanale Enrico, Mavilla Luigi, Mann Gerhard+, J. Org. Chem, 60 (1995) N 1, S 235-242

  摘要：

  DOI：

文献信息

• Synthesis and Configurational Analysis of a Novel Class of Cavitands Containing Four Dioxaphosphocin Moieties
  作者：Tino Lippmann、Horst Wilde、Enrico Dalcanale、Luigi Mavilla、Gerhard Mann、Ute Heyer、Silvia Spera

  DOI：10.1021/jo00106a039

  日期：1995.1

  Synthesis, separation, and configurational analysis of diastereomeric cavitands having general structure I are described. The cavitands are obtained by incorporation of four phosphate groups on the all-cis-resorcin[4]arene. Four dioxaphosphocin rings with four stereogenic centers on the phosphorus(V) atoms are formed by bridging the eight phenolic functions. The reaction leads to all the six possible diastereoisomers having different orientations of the P=O groups either outward (o) or inward (i) with respect to the cavity. The separation of the different diastereoisomers of cavitands 3-12 was achieved by chromatographic methods and the configuration of each one elucidated with H-1, C-13, and P-31 NMR. Variation of the R(2) substituents on the phosphorus atoms was studied with the aim of a stereoselective formation of the iiii and iiio isomers which possess the best qualifications for multiple hydrogen-bonding interactions.
• Lippmann Tino, Wilde Horst, Dalcanale Enrico, Mavilla Luigi, Mann Gerhard+, J. Org. Chem, 60 (1995) N 1, S 235-242
  作者：Lippmann Tino, Wilde Horst, Dalcanale Enrico, Mavilla Luigi, Mann Gerhard+

  DOI：——

  日期：——