1,3-ditert-butyl-4,4-dimethyl-2-oxo-N-phenyl-1,3,2lambda5,4-diazaphosphasiletidin-2-amine | 408347-73-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3-ditert-butyl-4,4-dimethyl-2-oxo-N-phenyl-1,3,2lambda5,4-diazaphosphasiletidin-2-amine
• 英文别名: 1,3-ditert-butyl-4,4-dimethyl-2-oxo-N-phenyl-1,3,2λ5,4-diazaphosphasiletidin-2-amine
• CAS: 408347-73-9
• 化学式: C₁₆H₃₀N₃OPSi
• 分子量: 339.493
• InChiKey: NFMHWIJDIVGFRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.12
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  三甲基氯硅烷 、 1,3-ditert-butyl-4,4-dimethyl-2-oxo-N-phenyl-1,3,2lambda5,4-diazaphosphasiletidin-2-amine 在 n-butylltihium 作用下， 以 甲苯 为溶剂， 反应 17.0h， 以79%的产率得到[Me2Si(μ-N(tert-butyl)2)PO(N(SiMe3)Ph)]
  参考文献：
  名称：

  N-versus O-silylation in cis-[(tBuHN)OP(μ-NtBu)2PO(NHtBu)] and [Me2Si(μ-NtBu)2PO(NHPh)]. Solid-state structures of their silylation products, of co-crystalline cis-[(tBuHN)OP(μ-NtBu)2PO(NHtBu)], and of {[Me2Si(μ-NtBu)2PO(N(SiMe3)Ph)]VCl3}

  摘要：

  The solid-state structure of cis-[((t)BuHN)O=P(mu-N(t)Bu)(2)P=O(NH(t)Bu)] (A), isolated as a 2-phenyl-2-propanol/ 2-phenyl-2-propanehydroperoxide co-crystal (1), is reported. Treatment of pure A with two equivalents of n-butyllithium, followed by addition of Me(3)SiCl, afforded the bis-O, O'-silylated cis-[( Me(3)SiO)(t)BuN=P(mu-N(t)Bu)(2)P=N(t)Bu(OSiMe(3))] (2), whose solid-state structure was determined. When the cyclic N,N,N-phosphoramidate [Me(2)Si(mu-N(t)Bu)(2)P=O(NHPh)] (B) was subjected to the same treatment as A, however, the N-silylated [Me(2)Si(mu-N(t)Bu)(2)P=O(N(SiMe(3))Ph)] (3), was obtained. Its solid-state structure was determined. The reaction of 3 with VCl(3)(THF)(3) did not produce the intended N, O-chelated V(II) complex, but furnished instead the adduct {[Me(2)Si(mu-N(t)Bu)(2)P=O(N(SiMe(3))Ph)] VCl(3)(THF)}, in which 3 binds the trigonal-bipyramidally coordinated vanadium center through its oxygen atom only. (c) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.05.023

文献信息

• N-versus O-silylation in cis-[(tBuHN)OP(μ-NtBu)2PO(NHtBu)] and [Me2Si(μ-NtBu)2PO(NHPh)]. Solid-state structures of their silylation products, of co-crystalline cis-[(tBuHN)OP(μ-NtBu)2PO(NHtBu)], and of {[Me2Si(μ-NtBu)2PO(N(SiMe3)Ph)]VCl3}
  作者：Dana C. Haagenson、Graham R. Lief、Lothar Stahl、Richard J. Staples

  DOI：10.1016/j.jorganchem.2008.05.023

  日期：2008.8

  The solid-state structure of cis-[((t)BuHN)O=P(mu-N(t)Bu)(2)P=O(NH(t)Bu)] (A), isolated as a 2-phenyl-2-propanol/ 2-phenyl-2-propanehydroperoxide co-crystal (1), is reported. Treatment of pure A with two equivalents of n-butyllithium, followed by addition of Me(3)SiCl, afforded the bis-O, O'-silylated cis-[( Me(3)SiO)(t)BuN=P(mu-N(t)Bu)(2)P=N(t)Bu(OSiMe(3))] (2), whose solid-state structure was determined. When the cyclic N,N,N-phosphoramidate [Me(2)Si(mu-N(t)Bu)(2)P=O(NHPh)] (B) was subjected to the same treatment as A, however, the N-silylated [Me(2)Si(mu-N(t)Bu)(2)P=O(N(SiMe(3))Ph)] (3), was obtained. Its solid-state structure was determined. The reaction of 3 with VCl(3)(THF)(3) did not produce the intended N, O-chelated V(II) complex, but furnished instead the adduct [Me(2)Si(mu-N(t)Bu)(2)P=O(N(SiMe(3))Ph)] VCl(3)(THF)}, in which 3 binds the trigonal-bipyramidally coordinated vanadium center through its oxygen atom only. (c) 2008 Elsevier B. V. All rights reserved.