tert-butyl N-allyl-2-iodo-4-(trifluoromethoxy)phenylcarbamate | 505084-64-0

• 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: tert-butyl N-allyl-2-iodo-4-(trifluoromethoxy)phenylcarbamate
• 英文别名: tert-butyl N-[2-iodo-4-(trifluoromethoxy)phenyl]-N-prop-2-enylcarbamate
• CAS: 505084-64-0
• 化学式: C₁₅H₁₇F₃INO₃
• 分子量: 443.205
• InChiKey: PWHGNIGZLITYTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-allyl-2-iodo-4-(trifluoromethoxy)phenylcarbamate 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 甲苯 为溶剂， 反应 17.0h， 以38%的产率得到N-tert-butoxycarbonyl-2,3-dihydro-3-methyl-5-(trifluoromethoxy)indole
  参考文献：
  名称：

  New strategies in the synthesis of regioselectively trifluoromethyl- and trifluoromethoxy-substituted arenes as building blocks for biologically active molecules

  摘要：

  Regioisomerically pure trifluoromethyl- and trifluoromethoxy-substituted aromatic and heteroaromatic aldehydes and carboxylic acids are valuable building blocks for the synthesis of biologically active molecules. They have been prepared by employing modem organometallic methods. On this basis, a novel access to 2,3-dihydro-5-(trifluoromethoxy)indole was developed which represents an intriguing example of how organometallic and radical chemistry can fecundate each other. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00161-6
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 叔丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 二甲基亚砜 、 甲苯 、 正戊烷 为溶剂， 反应 47.5h， 生成 tert-butyl N-allyl-2-iodo-4-(trifluoromethoxy)phenylcarbamate
  参考文献：
  名称：

  New strategies in the synthesis of regioselectively trifluoromethyl- and trifluoromethoxy-substituted arenes as building blocks for biologically active molecules

  摘要：

  Regioisomerically pure trifluoromethyl- and trifluoromethoxy-substituted aromatic and heteroaromatic aldehydes and carboxylic acids are valuable building blocks for the synthesis of biologically active molecules. They have been prepared by employing modem organometallic methods. On this basis, a novel access to 2,3-dihydro-5-(trifluoromethoxy)indole was developed which represents an intriguing example of how organometallic and radical chemistry can fecundate each other. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00161-6