cyclohexyl-phosphonic acid bis-trimethylsilanyl ester | 18027-42-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: cyclohexyl-phosphonic acid bis-trimethylsilanyl ester
• 英文别名: Cyclohexyl-phosphonsaeure-bis-trimethylsilylester；[cyclohexyl(trimethylsilyloxy)phosphoryl]oxy-trimethylsilane
• CAS: 18027-42-4
• 化学式: C₁₂H₂₉O₃PSi₂
• 分子量: 308.505
• InChiKey: IJZRDFBVJNBVHM-UHFFFAOYSA-N

物化性质

• 沸点：
  98.5 °C(Press: 0.6 Torr)
• 密度：
  0.982 g/cm3(Temp: 23 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  5.22
• 重原子数：
  18.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  cyclohexyl-phosphonic acid bis-trimethylsilanyl ester 在 五氯化磷 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以81%的产率得到环己基膦酰二氯
  参考文献：
  名称：

  在中性条件下温和而容易地合成烷基和芳基膦酰二氯。双（三甲基甲硅烷基）膦酸酯与 PCl5 的反应

  摘要：

  双（三甲基甲硅烷基）膦酸酯由二烷基酯与氯三甲基硅烷/碘化钠制备，在温和和中性条件下用五氯化磷处理后，可以高收率转化为相应的膦酰二氯化物。

  DOI：

  10.1246/cl.1980.435
• 作为产物：
  描述：

  三甲基乙氧基硅烷 、 环己基-三羟基磷鎓 生成 cyclohexyl-phosphonic acid bis-trimethylsilanyl ester
  参考文献：
  名称：

  Schwarz; Schoeller, Chemische Berichte, 1958, vol. 91, p. 2103,2107, 2108

  摘要：

  DOI：

文献信息

• Construction of Larger Molecular Aluminophosphate Cages from the Cyclic Four-Ring Building Unit
  作者：Jan Chyba、Zdenek Moravec、Marek Necas、Sanjay Mathur、Jiri Pinkas

  DOI：10.1021/ic500083a

  日期：2014.4.7

  New molecular aluminophosphates of different nuclearity are synthesized by a stepwise process and structurally characterized. The alkane elimination reaction of bis(trimethylsiloxy)phosphoric acid, OP-(OH)(OSiMe3)(2), with trialkylalanes, AlR3 (R = Me, Et, Bu-i), provides the cyclic dimeric aluminophosphates, [(AlR2mu(2)-O2P(OSiMe3)(2)})(2)) (R = Me (1), Et (2), Bu-i (3)). Unsymmetrically substituted cyclic aluminophosphonate [(AlMe2mu(2)-O2P(OSiMe3)((c)Hex)})(2)] (cis/trans-4) is prepared by dealkylsilylation reaction of (c)HexP(O)(OSiMe3)(2) with AlMe3. Molecules 1-4 containing the [Al-2(mu(2)-O2P)(2)] inorganic core are structural and spectroscopic models for the single four-ring (S4R) secondary building units (SBU) of zeolite frameworks. Compound 1 serves as a starting point in construction of larger molecular units by reactions with OP(OH)(OSiMe3)(2) as a cage-extending reagent and with diketones, such as Hhfacac (1,1,1,5,5,5-hexafluoropentan-2,4-dione) and Hacac (pentan-2,4-dione), as capping reagents. Reaction of 1 with 4 equiv of Hhfacac leads to new cyclic aluminophosphate [(Al(hfacac)(2)mu(2)-O2P(OSiMe3)(2)})(2)] (5), existing in two isomeric (D-2 and C-2h) forms. Reaction of 1 with 2 equiv of OP(OH)(OSiMe3)(2) and 1 equiv of Hhfacac provides a molecular aluminophosphate [AlMeAl(hfacac)}(2)mu(3)-O3P(OSiMe3)}(2)mu(2)-O2P(OSiMe3)(2)}(2)OP-(OSiMe3)(3)}] (6), while by adding first the Hhfacac and using 3 equiv of OP(OH)(OSiMe3)(2) we isolate [AlAl(hfacac)}(2)mu(3)-O3P(OSiMe3)}(2)mu(2)-O2P(OSiMe3)(2)}(2)HOP(O)(OSiMe3)(2)}(2)] (7). These molecules contain units in their cores that imitate 4=1 SBU of zeolite frameworks. Reaction with the order of component mixing 1, Hhfacac, OP(OH)(OSiMe3)(2) at a 1:2:2 molar ratio lead to formation of a larger cluster [(Al(AlMe)Al(hfacac)}mu(3)-O3P(OSiMe3)}(2)mu(2)-O2P(OSiMe3)(2)}(3))(2)] (8) containing both S4R and 4=1 structural units. Similarly, Hacac (pentan-2,4-dione) provides an isostructural [Al(AlMe)Al(acac)}mu(3)-O3P(OSiMe3)}(2)mu(2)-O2P(OSiMe3)(2)}(3))(2)] (9). Both molecules display Al centers in three different coordination environments.
• MORITA TSUYOSHI; OKAMOTO YOSHIKI; SAKURAI HIROSHI, CHEM. LETT., 1980, NO 4, 435-438
  作者：MORITA TSUYOSHI、 OKAMOTO YOSHIKI、 SAKURAI HIROSHI

  DOI：——

  日期：——