4,5-dichloro-2-iodobenzoic acid | 1346679-11-5

• 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: 4,5-dichloro-2-iodobenzoic acid
• 英文别名: 4,5-Dichloro-2-iodobenzoic acid
• CAS: 1346679-11-5
• 化学式: C₇H₃Cl₂IO₂
• 分子量: 316.91
• InChiKey: GGNMKQUAUXWAMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  溴乙酸叔丁酯 、 4,5-dichloro-2-iodobenzoic acid 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以60%的产率得到tert-butoxycarbonylmethyl 4,5-dichloro-2-iodobenzoate
  参考文献：
  名称：

  Application of the heck reaction for the synthesis of 1-alkoxyisoquinoline- 3-carboxylic acids esters

  摘要：

  It has been shown that the cyclization of the methyl 2-(2,2,2-trifluoroacetylamino)acrylate arylation product using methyl 4,6-dichloro-2-iodobenzoate gives the corresponding 1-methoxyisoquinoline-3-carboxylic acid ester through loss of water rather than methanol. This feature of the condensation has been used for the synthesis of methyl 1-(tert-butoxycarbonylmethoxy)isoquinoline-3-carboxylate.

  DOI：

  10.1007/s10593-011-0844-7
• 作为产物：
  描述：

  4,5-二氯氨茴酸 在 盐酸 、 sodium nitrite 、 potassium iodide 作用下， 以 水 为溶剂， 以69%的产率得到4,5-dichloro-2-iodobenzoic acid
  参考文献：
  名称：

  Application of the heck reaction for the synthesis of 1-alkoxyisoquinoline- 3-carboxylic acids esters

  摘要：

  It has been shown that the cyclization of the methyl 2-(2,2,2-trifluoroacetylamino)acrylate arylation product using methyl 4,6-dichloro-2-iodobenzoate gives the corresponding 1-methoxyisoquinoline-3-carboxylic acid ester through loss of water rather than methanol. This feature of the condensation has been used for the synthesis of methyl 1-(tert-butoxycarbonylmethoxy)isoquinoline-3-carboxylate.

  DOI：

  10.1007/s10593-011-0844-7

文献信息

• Application of the heck reaction for the synthesis of 1-alkoxyisoquinoline- 3-carboxylic acids esters
  作者：A. Ture、K. Rubina、E. Rozhkov、V. Kauss

  DOI：10.1007/s10593-011-0844-7

  日期：2011.10

  It has been shown that the cyclization of the methyl 2-(2,2,2-trifluoroacetylamino)acrylate arylation product using methyl 4,6-dichloro-2-iodobenzoate gives the corresponding 1-methoxyisoquinoline-3-carboxylic acid ester through loss of water rather than methanol. This feature of the condensation has been used for the synthesis of methyl 1-(tert-butoxycarbonylmethoxy)isoquinoline-3-carboxylate.