[1-(N-tert-butyloxycarbonyl)amino]-N-4-trifluoromethylphenylacetamide | 179683-40-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [1-(N-tert-butyloxycarbonyl)amino]-N-4-trifluoromethylphenylacetamide
• 英文别名: tert-butyl N-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)carbamate；tert-butyl N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]carbamate
• CAS: 179683-40-0
• 化学式: C₁₄H₁₇F₃N₂O₃
• mdl: MFCD24391823
• 分子量: 318.296
• InChiKey: GANYQTBTOKBARP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [1-(N-tert-butyloxycarbonyl)amino]-N-4-trifluoromethylphenylacetamide 在 三氟乙酸 、 lithium aluminium tetrahydride 作用下， 以 二氯甲烷 、 四氢呋喃 为溶剂， 生成 N¹-(4-(trifluoromethyl)phenyl)ethane-1,2-diamine
  参考文献：
  名称：

  MPAI-Ligand Accelerated Pd-Catalyzed C(sp³)–H Arylation of Free Aliphatic Acids

  摘要：

  DOI：

  10.1021/acs.orglett.2c02933
• 作为产物：
  描述：

  BOC-甘氨酸 在 N-甲基吗啉 作用下， 以 四氢呋喃 为溶剂， 反应 18.08h， 生成 [1-(N-tert-butyloxycarbonyl)amino]-N-4-trifluoromethylphenylacetamide
  参考文献：
  名称：

  Synthesis of analogues of the benzodiazepine Ro 5-3335, antagonist of Tat HIV-1. Biological evaluation by Luciferase transactivation and anti-viral assay

  摘要：

  Ro 5-3335 is a benzodiazepine which is an antagonist of the Tat protein of HIV-1. A series of Ro 5-3335-derived compounds have been synthesized in order to evaluate whether opened analogues of the benzodiazepine tricyclic structure possess biological activity. The analogues are constituted by two aromatic rings variously substituted, linked by an amino acid. The activity of these compounds has been determined by the quantification of both inhibition of Tat activity using a cell-based transfection assay and inhibition of HIV replication in acutely infected cells. No analogue provided a notable inhibition of Tat-dependent transactivation or any anti-HIV activity.

  DOI：

  10.1016/0223-5234(96)85171-3

文献信息

• Synthesis of analogues of the benzodiazepine Ro 5-3335, antagonist of Tat HIV-1. Biological evaluation by Luciferase transactivation and anti-viral assay
  作者：A Farese、V Peytou、R Condom、M Sinet、N Patino、A Kirn、C Moog、AM Aubertin、R Guedj

  DOI：10.1016/0223-5234(96)85171-3

  日期：1996.1

  Ro 5-3335 is a benzodiazepine which is an antagonist of the Tat protein of HIV-1. A series of Ro 5-3335-derived compounds have been synthesized in order to evaluate whether opened analogues of the benzodiazepine tricyclic structure possess biological activity. The analogues are constituted by two aromatic rings variously substituted, linked by an amino acid. The activity of these compounds has been determined by the quantification of both inhibition of Tat activity using a cell-based transfection assay and inhibition of HIV replication in acutely infected cells. No analogue provided a notable inhibition of Tat-dependent transactivation or any anti-HIV activity.
• MPAI-Ligand Accelerated Pd-Catalyzed C(<i>sp</i>³)–H Arylation of Free Aliphatic Acids
  作者：Zi-Yu Dong、Jia-Hui Zhao、Peng Wang、Jin-Quan Yu

  DOI：10.1021/acs.orglett.2c02933

  日期：2022.10.28