4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one | 5361-65-9

• 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: 4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one
• 英文别名: 4-methoxy-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
• CAS: 5361-65-9
• 化学式: C₁₁H₁₁NO₄
• 分子量: 221.213
• InChiKey: KNFUROJZTPIBGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one 在 lithium aluminium tetrahydride 作用下， 以 1,4-二氧六环 为溶剂， 生成 4-甲氧基-5,6,7,8-四氢-[1,3]二氧并[4,5-g]异喹啉
  参考文献：
  名称：

  Korbonits,D.; Harsanyi,K., Chemische Berichte, 1966, vol. 99, p. 267 - 272

  摘要：

  DOI：
• 作为产物：
  描述：

  Cotarnon-oxim 在 哌啶 、 nickel diacetate 作用下， 以 甲苯 为溶剂， 生成 4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one
  参考文献：
  名称：

  Korbonits,D.; Harsanyi,K., Chemische Berichte, 1966, vol. 99, p. 267 - 272

  摘要：

  DOI：

文献信息

• Synthesis of 3,4-Dihydroisoquinolin-1-ones from<i>N</i>-Boc-(β-Arylethyl)carbamates via Isocyanate Intermediates
  作者：Jinkyung In、Soonho Hwang、Changhun Kim、Jae Hong Seo、Sanghee Kim

  DOI：10.1002/ejoc.201201408

  日期：2013.2

  reaction conditions for the regioselective synthesis of isoquinolin-1-ones and related fused-ring heterocycles from N-Boc-protected (β-arylethyl)carbamates are described. The reactions involved the use of Tf2O and 2-chloropyridine and isocyanates are likely to be key intermediates. The method was extended to substrates bearing less nucleophilic aryl moieties by using Lewis acid additives, such as BF3·Et2O

  描述了从 N-Boc 保护的 (β-芳基乙基) 氨基甲酸酯区域选择性合成异喹啉-1-酮和相关稠环杂环的温和反应条件。涉及使用 Tf2O 和 2-氯吡啶和异氰酸酯的反应可能是关键中间体。通过使用路易斯酸添加剂，如 BF3·Et2O，该方法扩展到带有较少亲核芳基部分的底物，以增强异氰酸酯中间体的 Friedel-Crafts 型环化。该方法允许以良好的产率和高区域选择性合成各种取代的异喹啉-1-酮、β-咔啉、噻吩稠环系统和四氢苯并氮杂-1-酮。
• COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF
  申请人：IntoCell, Inc.

  公开号：US20220118104A1

  公开（公告）日：2022-04-21

  Provided are a compound including a cleavable linker, a use thereof, and an intermediate compound for preparing the same, and more particularly, the compound including a cleavable linker of the present invention may include an active agent (for example, a drug, a toxin, a ligand, a probe for detection, etc.) having a specific function or activity, a SO 2 functional group which is capable of selectively releasing the active agent, and a functional group which triggers a chemical reaction, a physicochemical reaction and/or a biological reaction by external stimulation, and may further include a ligand (for example, oligopeptide, polypeptide, antibody, etc.) having binding specificity for a desired target receptor.