1,21,23,25-tetramethyl-5,9,13,17-tetrakis(dimethylamino)-2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3,2,λ³]dioxaphosphocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3,2λ³]benzodioxaphosphocine | 205806-81-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 1,21,23,25-tetramethyl-5,9,13,17-tetrakis(dimethylamino)-2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3,2,λ³]dioxaphosphocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3,2λ³]benzodioxaphosphocine
• 英文别名: 3-N,3-N,9-N,9-N,15-N,15-N,21-N,21-N,25,29,33,37-dodecamethyl-2,4,8,10,14,16,20,22-octaoxa-3,9,15,21-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-tetramine
• CAS: 205806-81-1
• 化学式: C₄₀H₄₈N₄O₈P₄
• 分子量: 836.738
• InChiKey: ZYQNUIILJCEOQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  56
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  86.8
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1,21,23,25-tetramethyl-5,9,13,17-tetrakis(dimethylamino)-2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3,2,λ³]dioxaphosphocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3,2λ³]benzodioxaphosphocine 在 sulfur 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以95%的产率得到
  参考文献：
  名称：

  AMIDOPHOSPHITES IN THE CHEMISTRY OF CALYX[4]RESORCINOLARENE

  摘要：

  The possibility of using phosphorous amides for the phosphorylation of calyx[4]resorcinolarenes is found. This reaction can be directed to the synthesis of their octaphosphorylated derivatives or phosphocavitands. It is shown that the obtained compounds demonstrate substantially different properties depending on the character of their molecular matrix.

  DOI：

  10.1080/10426509608046391
• 作为产物：
  描述：

  phenyl tetramethylphosphorodiamidite 、 Calix[4]resorcinarene 以 1,4-二氧六环 为溶剂， 反应 96.0h， 以72%的产率得到1,21,23,25-tetramethyl-5,9,13,17-tetrakis(dimethylamino)-2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3,2,λ³]dioxaphosphocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3,2λ³]benzodioxaphosphocine
  参考文献：
  名称：

  Cyclophosphorylation of polyphenols by diamidoarylphosphites

  摘要：

  It was found that the cyclophosphorylation of polyphenols by diamidoarylphosphites proceeds via the rupture of only one P-N bond and one P-O bond, the second P-N bond remaining intact, It is supposed that the unusual lack of reactivity of the P-N bond is due to the spatial arrangement of the amido group with respect to the reaction site in phosphorylated intermediates 5. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(03)00111-x

文献信息

• Synthesis, Structure, and Reactivity of Tetrakis( <i>O,O</i> ‐phosphorus)‐Bridged Calix[4]resorcinols and Their Derivatives
  作者：Alexander Vollbrecht、Ion Neda、Holger Thönnessen、Peter G. Jones、Reinhard Schmutzler、Robin K. Harris、Lindsey A. Crowe

  DOI：10.1002/cber.19971301124

  日期：1997.11

  The synthesis and characterisation of the reactive tetrakis (O,O-phosphorus)-Bridged calix[4]resorcinols 3 and 4 is described. Because of its poor solubility in common organic solvents, a solid-state NMR investigation of 3 (1H, 13C, 31P) was conducted. Reaction of 3 with MeMgl, Me3 SiMNe2, and HNMe2 furnished the η3γ3P-substituted cavitands 5 and 6. Oxidative addition reactions of 6 with the (H2N)2C(=O)/H2O2

  描述了反应性四（O，O-磷）-桥杯[ 4 ]间苯二酚3和4的合成和表征。由于其在常见有机溶剂中的溶解度较差，因此进行了3（1 H，13 C，31 P）的固态NMR研究。的反应3与MeMgl中，Me 3 SiMNe 2，和HNME 2提供的η 3 γ 3 P-取代的cavitands 5和6。6与（H 2 N）的氧化加成反应2 C（= O）/ H 2 ö 2（1：1）加合物，四氯-邻苯醌（TOB），和六氟丙酮（HFA）导致了η 4 γ 5 P衍生物7，并以η 5 γ 5 P导数8和9。进行了四（O，O-磷）-桥杯[4]间苯二酚4的X射线晶体结构测定。框架显示圆锥构象；氯原子被引导向内。
• Complexes of P(III)-phosphocavitands with Groups VI and VII transition metal carbonyls
  作者：Eduard E Nifantyev、Vera I Maslennikova、Svetlana E Goryukhina、Mikhail Yu Antipin、Konstantin A Lyssenko、Larisa K Vasyanina

  DOI：10.1016/s0022-328x(01)00779-3

  日期：2001.8

  study has been made of the interaction between the new type of cavitands, P(III)-phosphocavitands, and the Cr, Mo, W, and Mn carbonyl complexes. The possibility has been shown for the directed coordination of all or some phosphorus atoms of the cavitand molecules with metals. The effect of the substituents at the phosphorus atoms in the macrocycles on the process selectivity has been revealed. The

  新型cavitands，P（III）-phosphocavitands和Cr，Mo，W和Mn羰基配合物之间的相互作用已经进行了研究。已经显示出空化分子的所有或一些磷原子与金属的直接配位的可能性。已经揭示了大环中磷原子上的取代基对工艺选择性的影响。已经获得了含有三价磷原子的磷空泡的第一金属配合物。
• Merkulov, R. V.; Maslennikova, V. I.; Nifant'ev, E. E., Russian Journal of General Chemistry, 2000, vol. 70, # 12, p. 1929 - 1930
  作者：Merkulov, R. V.、Maslennikova, V. I.、Nifant'ev, E. E.

  DOI：——

  日期：——
• Shkarina; Maslennikova; Vasyanina, Russian Journal of General Chemistry, 1997, vol. 67, # 12, p. 1867 - 1873
  作者：Shkarina、Maslennikova、Vasyanina、Lysenko、Antipin、Nifant'ev

  DOI：——

  日期：——
• Synthesis and structural features of tetranuclear rhodium complexes of amidophosphito- and phosphitocavitands
  作者：E. E. Nifantyev、V. I. Maslennikova、S. E. Goryukhina、L. K. Vasyanina、K. A. Lyssenko、M. Yu. Antipin

  DOI：10.1007/bf02495709

  日期：1998.9

  Interactions of acetylacetonatodicarbonylrhodium(I) with amidophosphito- and phosphitocavitands were studied. First representatives of tetranuclear cavity complexes of rhodium(I) were obtained. It was established by NMR spectroscopy and X-ray diffraction studies that the chemically identical phosphorhodium centers in these complexes differ in the spatial arrangement, and the system as a whole becomes unsymmetrical.