3-(tert-butyl)-7-methyl-2H-chromen-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-(tert-butyl)-7-methyl-2H-chromen-2-one
• 英文别名: 3-Tert-butyl-7-methylchromen-2-one；3-tert-butyl-7-methylchromen-2-one
• 化学式: C₁₄H₁₆O₂
• 分子量: 216.28
• InChiKey: LLARMTIWQOHXEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-羟基-4-甲基苯甲醛 在 三乙烯二胺 、 fac-tris(2-phenylpyridinato-N,C2')iridium(III) 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 3-(tert-butyl)-7-methyl-2H-chromen-2-one
  参考文献：
  名称：

  A facile visible-light-induced one-pot synthesis of 3-alkyl coumarins from simple salicylaldehydes

  摘要：

  DOI：

  10.1016/j.tet.2023.133249

文献信息

• ACONITINE COMPOUNDS, COMPOSITIONS, USES, AND PREPARATION THEREOF
  申请人：Bois Justin Du

  公开号：US20120238526A1

  公开（公告）日：2012-09-20

  Compound derivatives of aconitine are provided, in particular derivatives that modulate the activity of sodium channels. Also provided are pharmaceutical compositions comprising compounds of the invention and a pharmaceutically acceptable carrier. The subject compounds are useful in treatments, including treatments to modulate neuronal activity or to bring about muscular relaxation. The compounds also find use in the treatment of subjects suffering from a voltage-gated sodium channel-enhanced ailment or from pain. Further methods are provided for the preparation of the aconitine derivatives.

  提供了一种乌头碱的复合衍生物，特别是调节钠通道活性的衍生物。还提供了包括本发明化合物和药用可接受载体的药物组合物。这些化合物在治疗中很有用，包括调节神经活动或引起肌肉松弛的治疗。这些化合物还可用于治疗患有电压门控钠通道增强性疾病或疼痛的患者。还提供了制备乌头碱衍生物的进一步方法。
• Direct C-3 alkylation of coumarins <i>via</i> decarboxylative coupling with carboxylic acids
  作者：Farnaz Jafarpour、Masoumeh Darvishmolla、Narges Azaddoost、Farid Mohaghegh

  DOI：10.1039/c8nj06410e

  日期：——

  method for selective C-3 alkylation of coumarins using carboxylic acids as alkyl sources is reported. This process offers a practical method for the facile construction of 3-alkyl coumarins with a broad substrate scope. The reaction works under metal-free and aqueous media and both cyclic and acyclic aliphatic carboxylic acids participate in this radical C–C cross coupling reaction.

  报道了一种使用羧酸作为烷基源的香豆素选择性C-3烷基化的新方法。该方法提供了一种实用的方法，用于容易地构建具有广泛底物范围的3-烷基香豆素。该反应在无金属和水性介质下进行，并且环状和无环脂族羧酸均参与该自由基C-C交叉偶联反应。
• IMAGING AGENTS
  申请人：Drummond Margaret Struthers

  公开号：US20140010762A1

  公开（公告）日：2014-01-09

  An imaging agent for cells which produces an intracellular imaging signal proportional to the amount of hCE-1 in the cells independently of the amount of hCE-2 and/or hCE-3 in the cells, said imaging agent being a covalent conjugate of (a) an imaging agent and (b) an alpha mono- or di-substituted amino acid ester, wherein (a) is directly linked to (b), or (a) is indirectly linked to (b) by a linker radical, and wherein said direct or indirect linkage is via the amino group of (b), and wherein the amino group is not directly linked to a carbonyl group, and wherein the said alpha mono- or di-substituted amino acid ester part is selectively hydrolysable to the corresponding carboxylic acid part by the intracellular carboxylesterase enzyme hCE-1 relative to the intracellular enzymes hCE-2 or hCE-3.

  一种细胞成像剂，其产生与细胞中hCE-1数量成比例的胞内成像信号，而与细胞中hCE-2和/或hCE-3的数量无关，所述成像剂是(a)成像剂和(b)α-单或双取代氨基酸酯的共价结合物，其中(a)直接与(b)连接，或者(a)通过链连接基间接与(b)连接，且所述直接或间接连接是通过(b)的氨基团，且所述氨基团不直接连接到羰基团，所述α-单或双取代氨基酸酯部分可被细胞内羧酸酯酶酶hCE-1选择性水解为相应的羧酸部分，而相对于细胞内酶hCE-2或hCE-3而言。
• US9085536B2
  申请人：——

  公开号：US9085536B2

  公开（公告）日：2015-07-21
• A facile visible-light-induced one-pot synthesis of 3-alkyl coumarins from simple salicylaldehydes
  作者：Jung Keun Kim、Yuanbo Liu、Ming Gong、Yabo Li、Mengmeng Huang、Yangjie Wu

  DOI：10.1016/j.tet.2023.133249

  日期：2023.2