O,O-neopentyl phosphorothioic acid | 53324-09-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫代磷酸及其衍生物
• 英文名称: O,O-neopentyl phosphorothioic acid
• 英文别名: thiophosphoric acid O,O'-bis-(2,2-dimethyl-propyl) ester；bis(2,2-dimethylpropoxy)-hydroxy-sulfanylidene-λ5-phosphane
• CAS: 53324-09-7
• 化学式: C₁₀H₂₃O₃PS
• 分子量: 254.331
• InChiKey: CQWAOOATOUVPAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  70.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  O,O-neopentyl phosphorothioic acid 在 磺酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 bis(2,2-dimethylpropoxy)-sulfanylidene-trimethylsilyloxy-λ5-phosphane
  参考文献：
  名称：

  Michalski, J.; Chojnowski, J.; Jezierska, B., Phosphorus and Sulfur and the Related Elements, 1980, vol. 8, p. 263 - 268

  摘要：

  DOI：
• 作为产物：
  描述：

  dineopentyl phosphorochloridite 在 sulfur 、 三乙胺 作用下， 生成 O,O-neopentyl phosphorothioic acid
  参考文献：
  名称：

  Bluj,S. et al., Roczniki Chemii, 1974, vol. 48, p. 329 - 332

  摘要：

  DOI：

文献信息

• An electron spin resonance study of phosphoranyl radicals derived from tetra-alkyl esters of phosphorous phosphoric anhydride (RO)2POP(O)(OR)2
  作者：Alwyn G. Davies、Maxwell J. Parrott、Brian P. Roberts、Aleksandra Skowronska

  DOI：10.1039/p29760001154

  日期：——

  of phosphoranyl radicals with the general structure (RO)2P(X)OṖ(OR)3(X = O or S) have been studied in solution using e.s.r. spectroscopy. The phosphoranyl radicals were produced by addition of photochemically generated t-butoxyl radicals to (RO)2P(X)OP(OR)2(X = O or S) or diethoxyphosphoryloxyl radicals (EtO)2P(O)O to (RO)3P (X = O). The e.s.r. spectra of these phosphoranyl radicals are consistent with

  使用esr光谱法研究了一系列具有（RO）2 P（X）OṖ（OR）3（X = O或S）通式的磷烷基。通过将光化学生成的叔丁氧基自由基加到（RO）2 P（X）OP（OR）2（X = O或S）或二乙氧基磷酰氧基自由基（EtO）2 P（O）O到（RO ）3 P（X = O）。这些磷烷基的esr光谱与三角双锥体结构和（RO）2的亲嗜性一致P（O）O大于RO。环状自由基[图省略]（O）（OEt）2的光谱表明，顶端和赤道内环烷氧基取代基进行快速交换。的Fβ-断链（ETO）2卜吨OPOP（O）（OET）2在-60℃，得到叔丁基的基团比的（ETO）慢40倍3 ṖOBu吨。
• Electrophilic Trifluoromethylation of <i>S</i>-Hydrogen Phosphorothioates
  作者：Nico Santschi、Antonio Togni

  DOI：10.1021/jo200522w

  日期：2011.5.20

  A series of S-hydrogen phosphorothioates have been converted to the corresponding S-trifluoromethyl derivatives upon reaction with the electrophilic trifluoromethylation reagent 1 (trifluoromethyl 1,3-dihydro-3,3-dimethyl-1,2-benziodoxole). Relative rate data were obtained by F-19 NMR monitoring of competition experiments and were evaluated by means of the Taft equation. A high positive polar sensitivity factor of 2.55 was found for electron-rich substrates and a negative one of -0.37 for electron-poor ones, implying the involvement of two different rate-determining steps. Furthermore, the reaction was found to be unaffected by steric factors.
• Reaction of carbodiimides with phosphorothioic, phosphorodithioic, and phosphoroselenoic acids: products, intermediates, and steps
  作者：Marian Mikolajczyk、Piotr Kielbasinski、Wlodzimierz Basinski

  DOI：10.1021/jo00179a028

  日期：1984.3
• MIKOLAJCZYK, M.;KIELBASINSKI, P.
  作者：MIKOLAJCZYK, M.、KIELBASINSKI, P.

  DOI：——

  日期：——
• MIKOLAJCZYK, M.;KIELBASINSKI, P.;BASINSKI, W., J. ORG. CHEM., 1984, 49, N 5, 899-908
  作者：MIKOLAJCZYK, M.、KIELBASINSKI, P.、BASINSKI, W.

  DOI：——

  日期：——