Benzoylamino-3-nitro-1,1,1-trifluoropropane | 148112-49-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Benzoylamino-3-nitro-1,1,1-trifluoropropane
• 英文别名: 2-benzoylamino-1,1,1-trifluoro-3-nitro-propane；2-Benzoylamino-3,3,3-trifluoro-1-nitropropane；N-(1,1,1-trifluoro-3-nitropropan-2-yl)benzamide
• CAS: 148112-49-6
• 化学式: C₁₀H₉F₃N₂O₃
• 分子量: 262.188
• InChiKey: SQCRVJCAYRAQPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Benzoylamino-3-nitro-1,1,1-trifluoropropane 在 N-甲基吗啉 、 lithium aluminium tetrahydride 、 甘油 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 26.0h， 生成 ethyl 1-(2-benzoylamino-3,3,3-trifluoropropyl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
  参考文献：
  名称：

  Novel 1-Trifluoromethyl Substituted 1,2-Ethylenediamines and Their use for the Synthesis of Fluoroquinolones

  摘要：

  A common approach to the synthesis of 1-trifluoromethyl-1,2-ethylenediamines was developed. Based on these original building blocks the new derivatives of N-substituted fluoroquinolones bearing the trifluoromethyl group were obtained. Through-space transmitted coupling constants (7)J(F-F) between the trifluoromethyl group and F-8 were measured in the F-19 NMR spectra of all fluoroquinolones examined and assigned unequivocally by using F-19{F-19} double resonance technique. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00107-1
• 作为产物：
  描述：

  α-benzamidotrifluoroethanol 在 五氯化磷 、 sodium hydride 作用下， 反应 27.75h， 生成 Benzoylamino-3-nitro-1,1,1-trifluoropropane
  参考文献：
  名称：

  N-Acyl-1-chloro-2,2,2-trifluoroethylamine as a 2,2,2-Trifluoroethylamine-Building Block

  摘要：

  N-苯甲酰基-和N-乙酰基-1-氯-2,2,2-三氟乙胺与各种碳亲核试剂反应，以良好的收率得到相应的1-取代的N-酰基-2,2,2-三氟乙胺，将高效反应性应用于2-酰氨基-2-三氟甲基乙醇衍生物的合成。

  DOI：

  10.1246/bcsj.66.661

文献信息

• Aizikovich; Korotaev, Russian Journal of Organic Chemistry, 1999, vol. 35, # 2, p. 207 - 208
  作者：Aizikovich、Korotaev

  DOI：——

  日期：——
• <i>N</i>-Acyl-1-chloro-2,2,2-trifluoroethylamine as a 2,2,2-Trifluoroethylamine-Building Block
  作者：Kiyoshi Tanaka、Yoshiharu Ishiguro、Keiryo Mitsuhashi

  DOI：10.1246/bcsj.66.661

  日期：1993.2

  The reactions of N-benzoyl- and N-acetyl-1-chloro-2,2,2-trifluoroethylamines with various carbon-nucleophiles gave the corresponding 1-substituted N-acyl-2,2,2-trifluoroethylamines in good yields and the efficient reactivity was applied on the synthesis of 2-acylamino-2-trifluoromethylethanol derivative.

  N-苯甲酰基-和N-乙酰基-1-氯-2,2,2-三氟乙胺与各种碳亲核试剂反应，以良好的收率得到相应的1-取代的N-酰基-2,2,2-三氟乙胺，将高效反应性应用于2-酰氨基-2-三氟甲基乙醇衍生物的合成。
• Novel 1-Trifluoromethyl Substituted 1,2-Ethylenediamines and Their use for the Synthesis of Fluoroquinolones
  作者：Alexander Ya. Aizikovich、Maxim V. Nikonov、Michael I. Kodess、Vladislav Yu. Korotayev、Valery N. Charushin、Oleg N. Chupakhin

  DOI：10.1016/s0040-4020(00)00107-1

  日期：2000.3

  A common approach to the synthesis of 1-trifluoromethyl-1,2-ethylenediamines was developed. Based on these original building blocks the new derivatives of N-substituted fluoroquinolones bearing the trifluoromethyl group were obtained. Through-space transmitted coupling constants (7)J(F-F) between the trifluoromethyl group and F-8 were measured in the F-19 NMR spectra of all fluoroquinolones examined and assigned unequivocally by using F-19F-19} double resonance technique. (C) 2000 Elsevier Science Ltd. All rights reserved.