O-methyl-N,N-bis(trifluoromethyl)hydroxylamine | 22264-96-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: O-methyl-N,N-bis(trifluoromethyl)hydroxylamine
• 英文别名: O-Methyl-bis-(trifluormethyl)-hydroxylamin；mono(bistrifluormethylnitroxy)methane；1,1,1-trifluoro-N-methoxy-N-(trifluoromethyl)-methanamine；1,1,1-trifluoro-N-methoxy-N-(trifluoromethyl)methanamine
• CAS: 22264-96-6
• 化学式: C₃H₃F₆NO
• 分子量: 183.053
• InChiKey: YXNMPCKXLMXYTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N,N-双(三氟甲基)羟胺 、 硫酸二甲酯 在 sodium hydroxide 作用下， 生成 O-methyl-N,N-bis(trifluoromethyl)hydroxylamine
  参考文献：
  名称：

  Structure of O ‐Methyl‐ N,N ‐bis(trifluoromethyl)hydroxylamine, (CF ₃ ) ₂ NOCH ₃

  摘要：

  AbstractThe molecular structure of (CF3)2NOCH3 was determined by gas electron diffraction. The molecular intensities were reproduced by use of a single conformation with syn orientation of the O–CH3 group relative to the nitrogen lone pair. This was confirmed by ab initio calculations (HF/3‐21G(*), polarization functions only on nitrogen, and MP2/6‐31G*). The observed structure demonstrates that the generalized anomeric effect is of minor importance to this compound. The following skeletal geometric parameters (bond lengths [pm] and angles [°] with 3‐s̀ uncertainties) were derived: N–C 142.9(7), N–O 142(3), O–C 145(3), CNC 118.0(9), CNO 108.1(17), and NOC 109.4(17). The experimental structure is well reproduced by the ab initio calculations.

  DOI：

  10.1002/cber.19961290610

文献信息

• Preparation and reactions of mercury(<scp>II</scp>) bistrifluoromethylnitroxide
  作者：H. J. Emeléus、Jean'ne M. Shreeve、P. M. Spaziante

  DOI：10.1039/j19690000431

  日期：——

  Mercury(II) bistrifluoromethylnitroxide has been prepared by reaction of mercury with an excess of liquid bistrifluoromethylnitroxide radical. It is a white crystalline solid which dissociates to mercury and the free radical at 85°. It reacts at room temperature with typical compounds containing B–Cl, C–halogen, Si–Cl, Ge–Cl, and P–Cl bonds to give the corresponding bistrifluoromethylnitroxide derivative

  通过使汞与过量的液态三氟甲基硝基氧自由基反应制备了汞（II）型双三氟甲基硝基氧。它是白色结晶固体，在85°时会分解为汞和自由基。它在室温下与含有B–Cl，C–卤素，Si–Cl，Ge–Cl和P–Cl键的典型化合物反应，以高收率得到相应的双三氟甲基硝基氧衍生物。三（双三氟甲基硝基氧）硼与氟化铯产生1：1的加合物。