Neopentyl phosphorodichloridate | 39846-22-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: Neopentyl phosphorodichloridate
• 英文别名: 1-dichlorophosphoryloxy-2,2-dimethylpropane
• CAS: 39846-22-5
• 化学式: C₅H₁₁Cl₂O₂P
• 分子量: 205.021
• InChiKey: GQNAJJFEBAGWDL-UHFFFAOYSA-N

物化性质

• 沸点：
  230.5±9.0 °C(Predicted)
• 密度：
  1.247±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Neopentyl phosphorodichloridate 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 生成 Neopentyl phosphate
  参考文献：
  名称：

  Synthesis, fragmentation, and photorearrangement of neopentyl and adamantyl phosphonates in the 2,3-oxaphosphabicyclo[2.2.2]octene system

  摘要：

  Precursors for the generation of neopentyl and 1-adamantyl metaphosphates were prepared by the insertion of oxygen into a ring carbon-phosphorus bond of some 7-phosphanorbornene derivatives. The stereochemistry of the resulting products, which possess the 2,3-oxaphosphabicyclo[2.2.2]octene ring system, was established by NMR spectroscopy, and by X-ray analysis in one case. The O-insertion (by MCPBA) generally proceeds with retention of phosphorus configuration, but in one precursor with a syn-neopentoxy group a minor product from an inversion process was isolated. The 7-phosphanorbornene isomer with the uncommon anti neopentoxy structure was synthesized by rearrangement of the syn isomer; O-insertion gave exclusively the product of retention, identical to the minor product from the syn isomer. Conditions were developed for the photochemical fragmentation of the precursors at room temperature to release the metaphosphates; these highly reactive species were trapped as phosphates when alcohols were included in the medium. Thermal fragmentation also was effective for generating the neopentyl ester. Irradiation was also performed at -75 degrees C in an attempt to stabilize the metaphosphates so as to allow their spectral characterization, but a rearrangement occurred to give a novel tricyclic compound. In this rearrangement, the ring oxygen shifted stereospecifically to the adjacent sp(2) carbon, and a cyclopropane ring was formed.

  DOI：

  10.1021/jo00080a020
• 作为产物：
  描述：

  新戊醇 在 三乙胺 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 Neopentyl phosphorodichloridate
  参考文献：
  名称：

  [EN] COMPOUNDS
  [FR] COMPOSÉS

  摘要：

  本文披露了公式I的2'-螺环核苷及其衍生物，用于治疗感染丙型肝炎病毒或登革病毒的受试者。公式(I)中，z是从以下结构(II)所代表的基团a-o中选择的四元或五元环。其中*表示连接到2'-碳的位置。

  公开号：

  WO2012075140A1

文献信息

• Haloneopentyl Bis(ALKYL) Phosphate Ester, Flame Retardant Composition Containing Same and Polyurethane Foam Prepared Therewith
  申请人：Guo Yinzhong

  公开号：US20100174007A1

  公开（公告）日：2010-07-08

  A haloneopentyl dialkylphosphate ester possesses the general formula wherein each X is Br or Cl, provided at least two of X are Br, and R 1 and R 2 each independently is alkyl of up to 12 carbon atoms.

  一种haloneopentyl dialkylphosphate酯具有一般公式，其中每个X是Br或Cl，只要至少有两个X是Br，R1和R2各自独立地是最多12个碳原子的烷基。
• COMPOUNDS
  申请人：DU JINFA

  公开号：US20120142626A1

  公开（公告）日：2012-06-07

  Disclosed herein are 2′-spiro-nucleosides and derivatives thereof useful for treating a subject infected by hepatitis C virus or dengue virus.

  本文公开了2'-螺环核苷及其衍生物，用于治疗感染丙型肝炎病毒或登革热病毒的患者。
• 2'-SPIRO-NUCLEOSIDES FOR USE IN THE THERAPY OF HEPATITIS C
  申请人：Gilead Pharmasset LLC

  公开号：EP3042910A2

  公开（公告）日：2016-07-13

  Disclosed herein are 2'-spiro-nucleosides of formula I and derivatives thereof useful for treating a subject infected by hepatitis C virus or dengue virus, wherein B is selected from among B2 and B3 represented by the following structures:

  本文公开了式 I 的 2'-spiro-nucleosides 及其衍生物，可用于治疗丙型肝炎病毒或登革热病毒感染者、 其中 B 选自以下结构代表的 B2 和 B3：
• Euerby, Melvin R.; Partridge, Lynda Z.; Learmonth, Michele P., Journal of Chemical Research, Miniprint, 1987, # 3, p. 815 - 830
  作者：Euerby, Melvin R.、Partridge, Lynda Z.、Learmonth, Michele P.、Ball, Hayden L.、Gibbons, William A.

  DOI：——

  日期：——
• Synthesis and investigation of the thermal stability of siliconcontaining esters of phosphorus acids. 2. Thermal rearrangement of trimethylsilylmethyl (?siliconeopentyl?) esters of phosphorus acids
  作者：L. S. Zakharov、T. D. Drozdova、V. A. Svoren'、M. I. Kabachnik

  DOI：10.1007/bf00951719

  日期：1979.11