2,2,2-trifluoroethyl N,N,N',N'-tetraethylphosphorodiamidate | 287931-22-0

• 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: 2,2,2-trifluoroethyl N,N,N',N'-tetraethylphosphorodiamidate
• 英文别名: Bis(diethylamino)phosphinic acid 2,2,2-trifluoroethyl ester；N-[diethylamino(2,2,2-trifluoroethoxy)phosphoryl]-N-ethylethanamine
• CAS: 287931-22-0
• 化学式: C₁₀H₂₂F₃N₂O₂P
• 分子量: 290.266
• InChiKey: QQCNXCKMVUDEFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  四氯化锡 、 2,2,2-trifluoroethyl N,N,N',N'-tetraethylphosphorodiamidate 以 氯仿 为溶剂， 以78%的产率得到SnCl4*2(2,2,2-trifluoroethyl N,N,N',N'-tetraethylphosphorodiamidate)
  参考文献：
  名称：

  Synthesis, spectroscopic and structural studies of 2,2,2-trifluoroethyl phosphorodiamidate complexes with tin(IV) chloride

  摘要：

  The two octahedral complexes SnCl4 center dot 2(O)P(NR2)(2)OCH2CF3 (R = Me (1) or Et (2)) have been prepared from SnCl4 and the ligands (R2N)(2)P(O)OCH2CF3 in chloroform solution. Both adducts have been characterised by (P-31 and Sn-119) NMR, IR spectroscopy and elemental analysis. The NMR data show that the complexes exist as mixtures of cis and trans isomers in solution with the latter isomer being the predominant species. The structure of I has been determined by X-ray crystallography. Accordingly, the structure is centrosymmetric and the two ligands are bound trans to each other in the octahedral tin complex. DFT/B3LYP calculations show that trans configuration does indeed lead to the lowest energy species. Comparison of the structural, NMR and theoretical data of both complexes with those related to SnCl4 center dot 2L (L = (Me2N)(3)P(O) and (Me2N)(2)P(O)F) further supports the important effects of the nature of the substituents in the ligand on the stereochemistry of the complex formed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.02.009
• 作为产物：
  描述：

  2,2,2-trifluoroethyl phosphorodichloridate 、 二乙胺 以 乙醚 为溶剂， 反应 120.0h， 以58%的产率得到2,2,2-trifluoroethyl N,N,N',N'-tetraethylphosphorodiamidate
  参考文献：
  名称：

  氟化磷化合物：第1部分。某些氟代烷基磷酰基化合物的合成与反应

  摘要：

  氟代烷基氯氯化物CF 3 CH 2 OP（O）Cl 2和（R F CH 2 O）2 P（O）Cl（R F = CF 3，C 2 F 5）由三氯氧磷，氟代醇和三乙胺制备，但具有选择性替代是困难的。磷酸盐（R F CH 2 O）2 P（O）OR（R F = CF 3，C 2 F 5和R = Me，Et，n -Pr，i-Pr）的含量从磷酰氯与醇和三乙胺的反应中分离，产率为38-84％。逆反应的成功，即ROP（O）Cl 2和R F CH 2 OH，取决于R基团（Me，Et）和R F基团（CF 3，C 2 F 5）。磷酸盐在氯仿中不与溴代三甲基硅烷反应。将胺添加到CF 3 CH 2 OP（O）Cl 2或（CF 3 CH 2 O）2 P（O）Cl中可得到氨基磷酸酯（RR'N）2 P（O）OCH 2 CF 3或（CF 3 CH 2 O）2 P（O）NRR'（R和R'= H，Me，Et），产率为58-75％。Me

  DOI：

  10.1016/s0022-1139(00)00248-7

文献信息

• Synthesis and characterization of tin tetrafluoride adducts with fluoroalkyl phosphoryl ligands
  作者：Med Abderrahmane Sanhoury、Med Taieb Ben Dhia、Med Rachid Khaddar

  DOI：10.1016/j.jfluchem.2012.12.012

  日期：2013.2

  (R2N)nP(O)(OCH2CF3)3−n (n = 0–2) produces a series of new octahedral complexes of SnF4L2 type (L = (R2N)2P(O)OCH2CF3; R = Me (1); Et (2), L = R2NP(O)(OCH2CF3)2; R = Me (3); Et (4) or L = P(O)(OCH2CF3)3 (5)). The adducts have been characterized by multinuclear (19F, 31P and 119Sn) NMR, IR spectroscopy and elemental analyses. The NMR data particularly the 19F NMR spectra show the existence of complexes as mixtures of

  的SnF的反应4与（R 2 N）Ñ P（O）（OCH 2 CF 3）3- Ñ（Ñ  = 0-2）生产的系列的SnF的新八面体配合物4大号2型（L =（R 2 N）2 P（O）OCH 2 CF 3 ; R =我（1）;的Et（2），L = R 2 NP（O）（OCH 2 CF 3）2 ; R =我（3）;逸（4）或者L = P（O）（OCH 2 CF 3）3（5））。该加合物的特点是多核（19女，31 P和119 Sn）的NMR，IR光谱和元素分析。NMR数据特别是19 F NMR谱显示复合物的存在作为混合物的顺式和反式异构体。在CH可变温度NMR研究2氯2级在过量配体的存在的解决方案表明，在室温下将配体交换是慢为1-4和快速只为5。结果与的SnCl进行比较4类似物和显示的更高的形成反式比对所研究的复合物。
• METHOD FOR STABILIZING LIPF6, ELECTROLYTE SOLUTION FOR NONAQUEOUS SECONDARY BATTERIES HAVING EXCELLENT THERMAL STABILITY, AND NONAQUEOUS SECONDARY BATTERY HAVING EXCELLENT THERMAL STABILITY
  申请人：TOSOH F-TECH, INC.

  公开号：US20150140445A1

  公开（公告）日：2015-05-21

  [Problem] To provide: a method for stabilizing a solution that contains LiPF 6 by increasing thermal stability of LiPF 6 without changing the structure thereof; an electrolyte solution for nonaqueous secondary batteries, which has increased thermal stability; and a nonaqueous secondary battery which has increased thermal stability. [Solution] To have a solution containing LiPF 6 contain a phosphoric acid ester amide represented by general formula (I) in such an amount that the molar ratio of the phosphoric acid ester amide relative to LiPF 6 is 0.001-2. (In the formula, m represents an integer of 1 or 2; each of R 1 and R 2 represents a branched or linear alkyl group having 1 to 6 carbon atoms and/or a hydrocarbon group having an unsaturated bond, provided that R 1 and R 2 may have a substituent that is selected from the group consisting of an alkoxy group, an amino group, an alkylthio group, a saturated heterocyclic group, an unsaturated heterocyclic group, and a fluorine atom, and R 1 and R 2 may combine together to form a 5 to 8 membered cyclic structure; and R 3 represents a branched or linear alkyl group having 1 to 6 carbon atoms or a branched or linear fluorine-containing alkyl group having 1 to 6 carbon atoms)
• US9472829B2
  申请人：——

  公开号：US9472829B2

  公开（公告）日：2016-10-18