Diphenoxyphosphorylimino-diphenyl-(2-phenylethyl)-lambda5-phosphane | 442126-68-3

• 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: Diphenoxyphosphorylimino-diphenyl-(2-phenylethyl)-lambda5-phosphane
• 英文别名: diphenoxyphosphorylimino-diphenyl-(2-phenylethyl)-λ5-phosphane
• CAS: 442126-68-3
• 化学式: C₃₂H₂₉NO₃P₂
• 分子量: 537.535
• InChiKey: HOPHVSJFSCAUGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  对氯苯甲腈 、 Diphenoxyphosphorylimino-diphenyl-(2-phenylethyl)-lambda5-phosphane 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 48.5h， 以13%的产率得到5-Benzyl-6-(4-chloro-phenyl)-2-phenoxy-4,4-diphenyl-1H-4λ⁵-[1,3,2,4]diazadiphosphinine 2-oxide
  参考文献：
  名称：

  Synthesis of 1,2-dihydro-1,3-diaza-2λ5,4λ5-2,4-diphosphorine 2-oxides

  摘要：

  The reaction of lithium (N-diphenylphosphoryl)phosphazenes with nitriles afforded 1,2-dihydro-1,3-diaza-2lambda(5),4lambda(5)-2,4-diphosphorine 2-oxides through a C-regioselective addition to the cyano linkage followed by in situ cyclocondensation. The new heterocycles 4:1 were designed to mimic thymine and are promising chemotherapeutic anticancer agents. As an exception, for p-nitrobenzonitrile a SNAr C, reaction was exclusively observed with the nucleophile entering in the ortho position of the nitro substituent in a process directed by the strong electron withdrawing effect of the NO2 group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00144-8
• 作为产物：
  描述：

  乙基溴苯 以 四氢呋喃 为溶剂， 反应 3.5h， 生成 Diphenoxyphosphorylimino-diphenyl-(2-phenylethyl)-lambda5-phosphane
  参考文献：
  名称：

  Synthesis of 1,2-dihydro-1,3-diaza-2λ5,4λ5-2,4-diphosphorine 2-oxides

  摘要：

  The reaction of lithium (N-diphenylphosphoryl)phosphazenes with nitriles afforded 1,2-dihydro-1,3-diaza-2lambda(5),4lambda(5)-2,4-diphosphorine 2-oxides through a C-regioselective addition to the cyano linkage followed by in situ cyclocondensation. The new heterocycles 4:1 were designed to mimic thymine and are promising chemotherapeutic anticancer agents. As an exception, for p-nitrobenzonitrile a SNAr C, reaction was exclusively observed with the nucleophile entering in the ortho position of the nitro substituent in a process directed by the strong electron withdrawing effect of the NO2 group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00144-8

文献信息

• Synthesis of 1,2-dihydro-1,3-diaza-2λ5,4λ5-2,4-diphosphorine 2-oxides
  作者：Carmen M Andújar、Isidro Pérez Álvarez、Fernando López Ortiz

  DOI：10.1016/s0040-4020(02)00144-8

  日期：2002.3

  The reaction of lithium (N-diphenylphosphoryl)phosphazenes with nitriles afforded 1,2-dihydro-1,3-diaza-2lambda(5),4lambda(5)-2,4-diphosphorine 2-oxides through a C-regioselective addition to the cyano linkage followed by in situ cyclocondensation. The new heterocycles 4:1 were designed to mimic thymine and are promising chemotherapeutic anticancer agents. As an exception, for p-nitrobenzonitrile a SNAr C, reaction was exclusively observed with the nucleophile entering in the ortho position of the nitro substituent in a process directed by the strong electron withdrawing effect of the NO2 group. (C) 2002 Elsevier Science Ltd. All rights reserved.