methyl 4,4,4-trifluoro-3-methyl-3-nitrosobutyrate | 137600-12-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 4,4,4-trifluoro-3-methyl-3-nitrosobutyrate
• 英文别名: 3-nitroso-3-trifluoromethylbutanoic acid methyl ester；methyl 4,4,4-trifluoro-3-methyl-3-nitrosobutanoate
• CAS: 137600-12-5
• 化学式: C₆H₈F₃NO₃
• 分子量: 199.13
• InChiKey: NVHMINDWNCRZFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  dimethoxyaminyl radical 、 methyl 4,4,4-trifluoro-3-methyl-3-nitrosobutyrate 以 乙醚 为溶剂， 反应 0.5h， 以74%的产率得到N-(1-methyl-1-trifluoromethyl-2-methoxycarbonyl)ethyl-N'-methoxydiazene N-oxide
  参考文献：
  名称：

  Reaction of the dimethoxyaminyl radical with tertiary nitrosoalkanes as a method for the preparation of N-alkyl-N?-methoxydiazene N-oxides

  摘要：

  The reaction of the dimethoxyaminyl radical with functionally substituted nitrosoalkanes (2) in a 2:1 ratio at 20-degrees-C gives the corresponding N-alkyl-N'-methoxydiazene N-oxides (3) as a single isomer in preparative yields.

  DOI：

  10.1007/bf00863834
• 作为产物：
  描述：

  3-(N-chloro-N-methoxy)amino-3-trifluoromethylbutanoic acid methyl ester 在 氯化锑(V) 作用下， 以 二氯甲烷 为溶剂， 以61%的产率得到methyl 4,4,4-trifluoro-3-methyl-3-nitrosobutyrate
  参考文献：
  名称：

  Reaction of the dimethoxyaminyl radical with tertiary nitrosoalkanes as a method for the preparation of N-alkyl-N?-methoxydiazene N-oxides

  摘要：

  The reaction of the dimethoxyaminyl radical with functionally substituted nitrosoalkanes (2) in a 2:1 ratio at 20-degrees-C gives the corresponding N-alkyl-N'-methoxydiazene N-oxides (3) as a single isomer in preparative yields.

  DOI：

  10.1007/bf00863834

文献信息

• Possibility of the Arbuzov reaction in the dialkoxyamine series
  作者：V. F. Rudchenko、R. G. Kostyanovskii

  DOI：10.1007/bf01172268

  日期：1991.8

  Dialkoxyamines remain unchanged under the conditions for the Arbuzov rearrangement of secondary phosphonites. ln reaction with methyl triflate the compound (I) undergoes 1,2 rearrangement with the formation of methyl methoxycarbamate, while (III) gives the nitroso compound (IV). Previously described reactions of nitrogen analogs of phosphonites (V), (VIIa), and (VIIb) under the action of BF3, are interpreted on analogy with the Arbuzov rearrangement ("self-isomerization") of phosphorus (III) esters.
• RUDCHENKO, V. F.;KOSTYANOVSKIJ, R. G., IZV. AN CCCP. CEP. XIM.,(1991) N, S. 1856-1859
  作者：RUDCHENKO, V. F.、KOSTYANOVSKIJ, R. G.

  DOI：——

  日期：——
• Reaction of the dimethoxyaminyl radical with tertiary nitrosoalkanes as a method for the preparation of N-alkyl-N?-methoxydiazene N-oxides
  作者：V. F. Rudchenko、S. M. Ignatov、R. G. Kostyanovskii

  DOI：10.1007/bf00863834

  日期：1992.10

  The reaction of the dimethoxyaminyl radical with functionally substituted nitrosoalkanes (2) in a 2:1 ratio at 20-degrees-C gives the corresponding N-alkyl-N'-methoxydiazene N-oxides (3) as a single isomer in preparative yields.