3-Phenyl-3-sulfanylidene-11,14,17,20,23-pentaoxa-2,4-diaza-3lambda5-phosphatricyclo[22.4.0.05,10]octacosa-1(28),5,7,9,24,26-hexaene | 113366-79-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Phenyl-3-sulfanylidene-11,14,17,20,23-pentaoxa-2,4-diaza-3lambda5-phosphatricyclo[22.4.0.05,10]octacosa-1(28),5,7,9,24,26-hexaene
• 英文别名: 3-phenyl-3-sulfanylidene-11,14,17,20,23-pentaoxa-2,4-diaza-3λ5-phosphatricyclo[22.4.0.05,10]octacosa-1(28),5,7,9,24,26-hexaene
• CAS: 113366-79-3
• 化学式: C₂₆H₃₁N₂O₅PS
• 分子量: 514.582
• InChiKey: CZTHXVQMSUTOKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  35
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-Phenyl-3-sulfanylidene-11,14,17,20,23-pentaoxa-2,4-diaza-3lambda5-phosphatricyclo[22.4.0.05,10]octacosa-1(28),5,7,9,24,26-hexaene 在 间氯过氧苯甲酸 作用下， 生成 3-Phenyl-11,14,17,20-tetraoxa-2,4-diaza-3lambda5-phosphatricyclo[19.4.0.05,10]pentacosa-1(25),5,7,9,21,23-hexaene 3-oxide
  参考文献：
  名称：

  Synthesis of novel crown derivatives incorporating a diaminophosphine group in a polyether macrocycle

  摘要：

  DOI：

  10.1016/s0040-4039(00)95540-0
• 作为产物：
  描述：

  四乙二醇二对甲苯磺酸酯 在 palladium on activated charcoal potassium carbonate 、 sulfur 、 肼 作用下， 生成 3-Phenyl-3-sulfanylidene-11,14,17,20,23-pentaoxa-2,4-diaza-3lambda5-phosphatricyclo[22.4.0.05,10]octacosa-1(28),5,7,9,24,26-hexaene
  参考文献：
  名称：

  Synthesis of novel crown derivatives incorporating a diaminophosphine group in a polyether macrocycle

  摘要：

  DOI：

  10.1016/s0040-4039(00)95540-0

文献信息

• DUTASTA, JEAN PIERRE;SIMON, PASCAL, TETRAHEDRON LETT., 28,(1987) N 31, 3577-3580
  作者：DUTASTA, JEAN PIERRE、SIMON, PASCAL

  DOI：——

  日期：——
• A Macrobicyclic Thiophosphonamide Polyether Ligand
  作者：L. Van Oostenryck、B. Tinant、J. P. Declercq、J. P. Dutasta

  DOI：10.1107/s0108270194003914

  日期：1995.1.15

  Two crystal structures of a macrobicyclic oligoether compound, 31-phenyl-8,11,14,17,20-pentoxa-1,27-diaza-31-phosphatetracyclo[25.3.1.0(2,7).0(21,26)]henitriaconta-2,4,6,21,23,25-hexaene 31-sulfide, C29H35N2O5PS, (1), containing a thiophosphonamide group, are described. The molecules in the two crystals, (I) and (II), exhibit very similar conformations except for a disordered part in crystal form (II). A macrocyclic cavity appears in both conformations, although some O atoms of the O(CH2CH2O)(4) bridge are turned outwards. The propyl bridge and the phenyl group of the diazaphosphorinane moiety lie close to the sides of the macrocycle. The thiophosphoryl group is directed outwards.
• Synthesis of novel crown derivatives incorporating a diaminophosphine group in a polyether macrocycle
  作者：Jean Pierre Dutasta、Pascal Simon

  DOI：10.1016/s0040-4039(00)95540-0

  日期：1987.1