isopropyl isoquinoline-1-carboxylate | 1457730-48-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: isopropyl isoquinoline-1-carboxylate
• 英文别名: Propan-2-yl isoquinoline-1-carboxylate
• CAS: 1457730-48-1
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: GDMZVGUIJCVCGY-UHFFFAOYSA-N

物化性质

• 沸点：
  360.1±15.0 °C(predicted)
• 密度：
  1.144±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-碘代丙烷 、 1-异喹啉基甲醇 在 silver(l) oxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以55%的产率得到isopropyl isoquinoline-1-carboxylate
  参考文献：
  名称：

  Silver-Mediated Mild Oxidation of Nitrogen-Containing Heteroaryl-2-methanols to Esters

  摘要：

  Oxidation of nitrogen-containing heteroaryl-2-methanols to esters with Ag2O and isopropyl iodide is reported. This methodology is very mild and can tolerate many functional groups.

  DOI：

  10.1080/00397911.2014.884590

文献信息

• METHOD FOR PREPARING (R)-PRAZIQUANTEL
  申请人：SUZHOU TONGLI BIOMEDICAL CO., LTD

  公开号：US20140370556A1

  公开（公告）日：2014-12-18

  The invention relates to a new method for preparing (R)-praziquantel. In the invention, by taking advantage of the high stereo selectivity, site selectivity and region selectivity of an enzyme, an intermediate of a pure optical and chiral (R)-praziquantel are obtained by means of the dynamic kinetic resolution of an enantiomer from the synthesized racemate or derivatives thereof, and the (R)-praziquantel is obtained by using various conventional and mature organic chemical reactions with higher yield. The method of the invention has the potential advantages of easily available raw materials, low cost, environmentally safer process and convenience for large-scale production. Also, the purity of the end product can be more than 98%. By adopting the invention, the quality of the product is improved and a basis for developing high quality of active pharmaceutical ingredients and formulations is established, and thus the pending industrial problem of purifying praziquantel over 30 years becomes solvable.

  本发明涉及一种制备(R)-吡喹酮的新方法。本发明利用酶的高立体选择性、位点选择性和区域选择性，通过从合成的外消旋体或其衍生物中动力学地拆分对映体，获得一种纯光学手性的(R)-吡喹酮中间体，并利用各种常规和成熟的有机化学反应，得到(R)-吡喹酮，其产量更高。本发明的方法具有易得的原材料、低成本、环境更安全的工艺和便于大规模生产的潜在优点。此外，最终产品的纯度可以超过98%。通过采用本发明，产品的质量得到了提高，建立了开发高质量活性药物成分和配方的基础，从而解决了30多年来净化吡喹酮的悬而未决的工业问题。
• US9068214B2
  申请人：——

  公开号：US9068214B2

  公开（公告）日：2015-06-30
• US9139859B2
  申请人：——

  公开号：US9139859B2

  公开（公告）日：2015-09-22
• Silver-Mediated Mild Oxidation of Nitrogen-Containing Heteroaryl-2-methanols to Esters
  作者：Vikas S. Patil、M. Rajendar Reddy、Shyam Sundar Pal、Somesh Sharma、L. Krishnakanth Reddy

  DOI：10.1080/00397911.2014.884590

  日期：2014.7.18

  Oxidation of nitrogen-containing heteroaryl-2-methanols to esters with Ag2O and isopropyl iodide is reported. This methodology is very mild and can tolerate many functional groups.