Imidazole-1-carboxylic acid [4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-methyl-amide | 872168-52-0

• 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: Imidazole-1-carboxylic acid [4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-methyl-amide
• 英文别名: N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylimidazole-1-carboxamide
• CAS: 872168-52-0
• 化学式: C₁₇H₂₅N₃O₂Si
• 分子量: 331.49
• InChiKey: VQVSAOXPNJPPLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.37
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Imidazole-1-carboxylic acid [4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-methyl-amide 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 (S)-3-Hydroxy-pyrrolidine-1-carboxylic acid [4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-methyl-amide
  参考文献：
  名称：

  Novel steroid mimics directed towards the estradiol skeleton

  摘要：

  A series or non-symmetrical tri- and tetra-substituted ureas have been prepared to mimic the rigid tetracyclic core of estradiol. Tetra-substituted ureas were prepared by a five-step protocol, involving activation and displacement of a carbonyldiimidazole adduct in 48-67% overall yield. This method was unsuccessful for tri-substituted ureas, which were prepared in 42-74% yields by an alternative four-step method, which included a one-pot 4-nitrophenyl carbamate form ation/displacement sequence. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.005
• 作为产物：
  描述：

  4-甲氨基苯酚硫酸盐 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 Imidazole-1-carboxylic acid [4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-methyl-amide
  参考文献：
  名称：

  Novel steroid mimics directed towards the estradiol skeleton

  摘要：

  A series or non-symmetrical tri- and tetra-substituted ureas have been prepared to mimic the rigid tetracyclic core of estradiol. Tetra-substituted ureas were prepared by a five-step protocol, involving activation and displacement of a carbonyldiimidazole adduct in 48-67% overall yield. This method was unsuccessful for tri-substituted ureas, which were prepared in 42-74% yields by an alternative four-step method, which included a one-pot 4-nitrophenyl carbamate form ation/displacement sequence. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.005