2-(4-Benzyl-phenyl)-2,2-difluoro-N-methoxy-N-methyl-acetamide | 299217-04-2

• 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: 2-(4-Benzyl-phenyl)-2,2-difluoro-N-methoxy-N-methyl-acetamide
• 英文别名: 2-(4-benzylphenyl)-2,2-difluoro-N-methoxy-N-methylacetamide
• CAS: 299217-04-2
• 化学式: C₁₇H₁₇F₂NO₂
• 分子量: 305.324
• InChiKey: SBOBWCAMEXLBGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-Benzyl-phenyl)-2,2-difluoro-N-methoxy-N-methyl-acetamide 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 19.0h， 生成 1-(4-Benzyl-phenyl)-1,1-difluoro-4-phenethyl-hex-5-en-2-ol
  参考文献：
  名称：

  Difluoroketones as inhibitors of matrix metalloprotease-13

  摘要：

  Substrate-like difluoroketones have been prepared as potential inhibitors of MMP-13. Weak inhibition was seen with the key target 2. This and the more potent activity of intermediate 7b illustrates that hydrated ketones can be used to inhibit MMP-13 and perhaps other members of this class of enzymes. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00287-0
• 作为产物：
  描述：

  (4-Benzyl-phenyl)-difluoro-acetic acid 在 氯化亚砜 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 2-(4-Benzyl-phenyl)-2,2-difluoro-N-methoxy-N-methyl-acetamide
  参考文献：
  名称：

  Difluoroketones as inhibitors of matrix metalloprotease-13

  摘要：

  Substrate-like difluoroketones have been prepared as potential inhibitors of MMP-13. Weak inhibition was seen with the key target 2. This and the more potent activity of intermediate 7b illustrates that hydrated ketones can be used to inhibit MMP-13 and perhaps other members of this class of enzymes. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00287-0

文献信息

• Difluoroketones as inhibitors of matrix metalloprotease-13
  作者：Lawrence A Reiter、Gary J Martinelli、Lisa A Reeves、Peter G Mitchell

  DOI：10.1016/s0960-894x(00)00287-0

  日期：2000.7

  Substrate-like difluoroketones have been prepared as potential inhibitors of MMP-13. Weak inhibition was seen with the key target 2. This and the more potent activity of intermediate 7b illustrates that hydrated ketones can be used to inhibit MMP-13 and perhaps other members of this class of enzymes. (C) 2000 Elsevier Science Ltd. All rights reserved.