3-Tert-butyl-2-oxidoisoquinolin-2-ium | 1426258-79-8

• 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: 3-Tert-butyl-2-oxidoisoquinolin-2-ium
• CAS: 1426258-79-8
• 化学式: C₁₃H₁₅NO
• 分子量: 201.268
• InChiKey: IUUCVLCXSDBXNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  25.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-Tert-butyl-2-oxidoisoquinolin-2-ium 在 silver trifluoromethanesulfonate 、 copper(II) bis(trifluoromethanesulfonate) 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以68%的产率得到3-(tert-butyl)isoquinoline
  参考文献：
  名称：

  Efficient Synthesis of Isoquinoline Derivatives via AgOTf/Cu(OTf)₂-Cocatalyzed Cyclization of 2-Alkynyl Benzaldoxime

  摘要：

  An efficient, AgOTf and Cu(OTf)(2) multicatalytic intramolecular cycloisomerization of 2-alkynylbenzaldoxime is reported. Isoquinoline N-oxides have been found to be deoxygenated to the corresponding quinolines in good yields in dimethylformamide/dichloroethane (v/v 5:1) as solvent at 120 degrees C.

  DOI：

  10.1080/00397911.2012.666314
• 作为产物：
  描述：

  2-(3,3-dimethylbut-1-yn-1-yl)benzaldehyde 在 吡啶 、 盐酸羟胺 、 silver trifluoromethanesulfonate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 3-Tert-butyl-2-oxidoisoquinolin-2-ium
  参考文献：
  名称：

  Efficient Synthesis of Isoquinoline Derivatives via AgOTf/Cu(OTf)₂-Cocatalyzed Cyclization of 2-Alkynyl Benzaldoxime

  摘要：

  An efficient, AgOTf and Cu(OTf)(2) multicatalytic intramolecular cycloisomerization of 2-alkynylbenzaldoxime is reported. Isoquinoline N-oxides have been found to be deoxygenated to the corresponding quinolines in good yields in dimethylformamide/dichloroethane (v/v 5:1) as solvent at 120 degrees C.

  DOI：

  10.1080/00397911.2012.666314

文献信息

• Catch–Release System for Dosing and Recycling Silver(I) Catalyst with Status of Catalytic Activity Reported by Fluorescence
  作者：Indrajit Paul、Nikita Mittal、Soumen De、Michael Bolte、Michael Schmittel

  DOI：10.1021/jacs.9b01182

  日期：2019.4.3

  Addition of zinc(II) releases silver(I) from [Ag(1)]+ and generates the catalytically active and fluorescent complex [Ag(2)]+. In this networked state II ("release") both catalytic activity and emission at 472 nm are maximum. Removal of the original trigger regenerates networked state I. ON/OFF control and recycling of catalyst was demonstrated over three in situ cycles.

  由纳米开关 1 和附有蒽的冠醚 2 组成的银（I）捕获释放系统是由化学触发和离子转移驱动的。银 (I) 易位的任何状态都是通过 472 和 554 nm 的比率发射特征自行报告的。在自分类网络状态 I 中，银 (I) 离子在纳米开关 [Ag(1)]+（“捕获”）内被紧密屏蔽，因此它们的催化活性为零，而在 554 nm 处的发射最大。添加锌 (II) 从 [Ag(1)]+ 释放银 (I) 并生成具有催化活性和荧光的复合物 [Ag(2)]+。在这种网络状态 II（“释放”）中，472 nm 处的催化活性和发射都是最大的。移除原始触发器会重新生成网络状态 I。
• CCR2 INHIBITORS AND METHODS OF USE THEREOF
  申请人：Basak Arindrajit

  公开号：US20100234364A1

  公开（公告）日：2010-09-16

  Compounds are provided that act as potent antagonists of the CCR2 or CCR9 receptor. Animal testing demonstrates that these compounds are useful for treating inflammation, a hallmark disease for CCR2 and CCR9. The compounds are generally aryl sulfonamide derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR2-mediated diseases, CCR9-mediated diseases, as controls in assays for the identification of CCR2 antagonists, and as controls in assays for the identification of CCR9 antagonists.

  提供了作为CCR2或CCR9受体强效拮抗剂的化合物。动物实验表明，这些化合物对于治疗炎症非常有效，而炎症是CCR2和CCR9的典型疾病。这些化合物通常是芳基磺酰胺衍生物，在制药组合物、治疗CCR2介导疾病的方法、治疗CCR9介导疾病的方法、作为CCR2拮抗剂鉴定的检测中的对照物，以及作为CCR9拮抗剂鉴定的检测中的对照物中非常有用。
• Base-controlled [3+3] cycloaddition of isoquinoline N-oxides with azaoxyallyl cations
  作者：Yuanyuan An、Hongguang Xia、Jie Wu

  DOI：10.1039/c6cc03650c

  日期：——

  A base-controlled [3+3] cycloaddition reaction of isoquinoline N-oxides with azaoxyallyl cations is developed. 1,11b-Dihydro-[1,2,4]oxadiazino[3,2-a]isoquinolin-2(3H)-ones are obtained when isoquinoline N-oxides are treated with [small alpha]-halohydroxamates in the presence of sodium carbonate, while...

  开发了碱控制的异喹啉N-氧化物与氮杂烯丙基阳离子的[3 + 3]环加成反应。当在钠的存在下用[小α]-卤代异羟肟酸酯处理异喹啉N-氧化物时，得到1,11b-二氢-[1,2,4]恶二嗪基[3,2-a]异喹啉-2（3H）-。碳酸盐，而...
• Aryl Sulfonamides
  申请人：Ungashe Solomon

  公开号：US20080161345A1

  公开（公告）日：2008-07-03

  The present invention relates to compounds that modulate various chemokine receptors. These compounds are useful for treating inflammatory and immune diseases.

  本发明涉及调节各种趋化因子受体的化合物。这些化合物可用于治疗炎症和免疫性疾病。
• ARYL SULFONAMIDES
  申请人：Ungashe Solomon

  公开号：US20110201610A1

  公开（公告）日：2011-08-18

  The present invention relates to compounds that modulate various chemokine receptors. These compounds are useful for treating inflammatory and immune diseases.

  本发明涉及调节多种趋化因子受体的化合物。这些化合物可用于治疗炎症和免疫疾病。