tris(2,2,2-trifluoroethyl)amine | 125284-98-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tris(2,2,2-trifluoroethyl)amine
• 英文别名: 2,2,2-trifluoro-N,N-bis(2,2,2-trifluoroethyl)ethanamine
• CAS: 125284-98-2
• 化学式: C₆H₆F₉N
• 分子量: 263.106
• InChiKey: MKWSAJIEQHPRGY-UHFFFAOYSA-N

物化性质

• 沸点：
  109 °C
• 密度：
  1.429±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 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：
  3.2
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  tris(2,2,2-trifluoroethyl)amine 在 溴 作用下， 以 various solvent(s) 为溶剂， 以52%的产率得到(2,2,2-trifluoroethyl)-bis(1,2,2,2-bromotrifluoroethyl)-amine
  参考文献：
  名称：

  Tris(2,2,2-trifluoroethyl)amine and its reactions with halogens

  摘要：

  DOI：

  10.1016/s0022-1139(00)84377-8
• 作为产物：
  描述：

  双(2,2,2-三氟乙基)胺 、 三氟乙基全氟丁基磺酸酯 生成 tris(2,2,2-trifluoroethyl)amine
  参考文献：
  名称：

  Structure and Conformation of Tris(2,2,2-trifluoroethyl)amine, N(CH2CF3)3, in the Gaseous and Solid State

  摘要：

  The conformational properties and geometric structure of tris(2,2,2-trifluoroethyl)amine, N(CH2CF3)(3), have been determined for the gaseous and solid state by electron diffraction and X-ray crystallography, respectively. In the gas phase the predominant conformer possesses C-1 symmetry, and small contributions of C-s (<25%) and/or C-3 (<10%) conformers cannot be excluded. In the crystal, however, the molecule adopts a structure with C-3 symmetry. Raman spectra at temperatures between +24 and -35 degrees C demonstrate the presence of a mixture of at least two conformers in the liquid phase. The following geometric parameters (r(a) distances and angle(alpha) angles with 3 sigma uncertainties) were derived for the nitrogen-carbon skeleton in the gas phase: N-C = 1.436(6) Angstrom, C-C = 1.527(5) Angstrom, CNC = 116.6(9)degrees, (NCC)(mean) = 113.7(9)degrees, Phi(1) = 180 degrees (ass), Phi(2) = 10.8(11)degrees, and Phi(3) = 19.4(11)degrees. Phi(i) are the lp-N-C-C dihedral angles (lp = nitrogen lone pair). The corresponding parameters for the crystal structure (mean values with sigma uncertainties) are very similar: N-C = 1.453(3) Angstrom, C-C = 1.507(3) Angstrom, CNC = 115.1(2)degrees, NCC = 111.6(2)degrees, and Phi(i) = 22.1(3)degrees. According to ab initio calculations CHF/3-21G with polarization functions at nitrogen), the most stable structure possesses C-1 symmetry and the C-s and C-3 conformers are higher in energy by 0.7 and 3.6 kcal/mol, respectively.

  DOI：

  10.1021/j100095a023

文献信息

• Heat pumps
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0127365A2

  公开（公告）日：1984-12-05

  A mechanical vapour recompression heat pump system wherein the working fluid is a saturated fluorohydrocarbon or fluorohydrocarbon ether having from 3to 5 carbon atoms or a fluorinated amine containing up to 6 carbon atoms and having the formula: wherein each of X and X', independently, represents hydrogen or fluorine, R represents hydrogen or a lower alkyl radical n represents an integer from 1 to 4, each of m and q represents an integer from 0 to 2, p represents an integer from 0 to 4 provided that p is not zero when X' is fluorine, and r represents an integer from 1 to 3; or the formula: wherein W represents hydrogen or fluorine, a represents an integer from 3 to 5, b represents an integer from 1 to 3 and c represents an integer from 0 to 2 provided that c is not zero when W is fluorine.

  一种机械蒸汽再压缩热泵系统，其中工作流体为具有 3 至 5 个碳原子的饱和氟烃或氟化烃醚，或含有最多 6 个碳原子且具有以下式子的氟化胺： 其中 X 和 X'各自独立地代表氢或氟、 R 代表氢或低级烷基 n 代表 1 至 4 的整数 m 和 q 各自代表 0 至 2 的整数 p 代表 0 至 4 的整数，条件是当 X' 为氟时 p 不为零，以及 r 代表 1 至 3 的整数； 或式 其中 W 代表氢或氟，a 代表 3 至 5 的整数，b 代表 1 至 3 的整数，c 代表 0 至 2 的整数，条件是当 W 为氟时，c 不为零。
• BURGER, H.;KRUMM, B.;PAWELKE, G., J. FLUOR. CHEM., 44,(1989) N, C. 147-153
  作者：BURGER, H.、KRUMM, B.、PAWELKE, G.

  DOI：——

  日期：——
• US4541943A
  申请人：——

  公开号：US4541943A

  公开（公告）日：1985-09-17
• US4585569A
  申请人：——

  公开号：US4585569A

  公开（公告）日：1986-04-29
• Tris(2,2,2-trifluoroethyl)amine and its reactions with halogens
  作者：H. Bürger、B. Krumm、G. Pawelke

  DOI：10.1016/s0022-1139(00)84377-8

  日期：1989.7