3,8-dimethoxyquinoline | 214349-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3,8-dimethoxyquinoline
• 英文别名: 3,8-Dimethoxy quinoline
• CAS: 214349-04-9
• 化学式: C₁₁H₁₁NO₂
• 分子量: 189.214
• InChiKey: NCSJNBMJPWBDEU-UHFFFAOYSA-N

物化性质

• 沸点：
  322.3±22.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,8-dimethoxyquinoline 在 吡啶盐酸盐 作用下， 反应 1.0h， 以70%的产率得到3,8-dihydroxyquinoline
  参考文献：
  名称：

  Preparation of New 3-Hydroxyquinoline Alkaloid, Jineol and Its Ether Derivatives Using Directed ortho-Lithiation of Chloroquinoline as the Key Step

  摘要：

  DOI：

  10.3987/com-98-8326
• 作为产物：
  描述：

  2-氯-8-甲氧基喹啉 在 过氧乙酸 、 硼酸三甲酯 、 2,2,6,6-tetramethylpiperidinyl-lithium 、 potassium carbonate 、 溶剂黄146 、 锌 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 、 丙酮 为溶剂， 反应 7.0h， 生成 3,8-dimethoxyquinoline
  参考文献：
  名称：

  Preparation of New 3-Hydroxyquinoline Alkaloid, Jineol and Its Ether Derivatives Using Directed ortho-Lithiation of Chloroquinoline as the Key Step

  摘要：

  DOI：

  10.3987/com-98-8326

文献信息

• Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof
  申请人：Lim Mu'Ill

  公开号：US20060156485A1

  公开（公告）日：2006-07-20

  Compositions for the oxidative dyeing of keratin fibers, comprising a medium suitable for dyeing and at least one bicyclic 6-6 (0:1, 0:2, 1:1, 1:2) aza heteroaromatic keratin dyeing compound with one or two N-oxides. A method for oxidative dyeing of keratin fibers, comprising applying such compositions in the presence of an oxidizing agent, for a period sufficient to develop the desired coloration.

  用于氧化染色角蛋白纤维的组合物，包括适合染色的介质和至少一种含有一个或两个N-氧化物的双环6-6（0:1, 0:2, 1:1, 1:2）杂环芳香族角蛋白染色化合物。一种氧化染色角蛋白纤维的方法，包括在氧化剂存在下施用这种组合物，以足够时间发展所需的着色。
• Novel methoxyquinoline derivative: Synthesis, characterization, crystal structure, Hirshfeld surface, thermodynamic properties, and quantum chemical calculation of 3,6,8-trimethoxyquinoline
  作者：Salih Ökten、Zeynep Demircioğlu、Cem Cüneyt Ersanli、Osman Çakmak

  DOI：10.1080/15421406.2020.1848260

  日期：2021.1.2

  with the experimental data. Theoretical calculations are a good way for obtaining comprehensive information about global and local chemical activity, and chemical and molecular properties that reveal the nucleophilic and electrophilic nature. Molecular electrostatic potential (MEP) distribution, thermodynamic parameters, frontier molecular orbitals (FMOs), Fukui functions, and net charge analysis of

  摘要 在本研究中，我们通过 X 射线、FT-IR、NMR 分析及其计算研究描述了新型 3,6,8-三甲氧基喹啉 ( 2 )的合成和结构表征。利用密度泛函理论（DFT/B3LYP）和Hartree-Fock（HF）方法，在6-311 G(d,p)基组下优化了标题化合物的分子几何结构，并将几何参数与实验数据进行了比较. 理论计算是获取有关全局和局部化学活动以及揭示亲核和亲电性质的化学和分子性质的综合信息的好方法。分子静电势（MEP）分布，热力学参数，前沿分子轨道（FMOs），福井函数和的净电荷的分析（2) 也进行了调查。此外，通过使用基于亲电性的电荷转移 (ECT) 方法和电荷转移 (Δ N ) 研究了用于研究电荷转移、亲电和胞嘧啶等 DNA 碱基的分子与 DNA 碱基之间的相互作用。亲核性质。
• Quinoline compound extracted from scolopendra subspinipes, and
  申请人：Samsung General Chemicals Co., Ltd.

  公开号：US05824689A1

  公开（公告）日：1998-10-20

  The jineol extracted from scolopendra subspinipes is represented as the following formula (I): ##STR1## The jineol is obtained from scolopendra subspinipes by extracting scolopendra subspinipes with a solvent, separating an activating portion from the extracted liquid with an organic solvent, and purifying an anticancerous activating portion from the activating portion by chromatography. The jineol derivatives prepared from the jineol extracted scolopendra subspinipes are represented as the following formula (II): ##STR2## wherein each R.sub.1 and R.sub.2, independently of each other, is a hydrogen; a lower alkyl group of C.sub.1 to C.sub.6 ; a cycloalkyl group of C.sub.5 to C.sub.7 having a substituting group; an alkyl group of C.sub.1 to C.sub.4 having a phenyl group with one to three substituting groups; a lower alkyl group of C.sub.1 to C.sub.6 having a hydroxy, an alkoxy having C.sub.1 to C.sub.5, or an aryloxy; a lower acyl group of C.sub.1 to C.sub.7 having a hydroxy, an alkoxy having C.sub.1 to C.sub.5, or an aryloxy; a cycloalkylcarbonyl group of C.sub.5 to C.sub.7 with one to three substituting groups; or an acyl group of C.sub.1 to C.sub.4 having a phenyl group with one to three substituting groups.

  从蜈蚣中提取出的金醇表示为以下公式（I）：##STR1## 金醇是通过用溶剂提取蜈蚣，用有机溶剂从提取液中分离出激活部分，并通过色谱纯化激活部分中的抗癌激活部分而获得的。从提取自蜈蚣的金醇制备的金醇衍生物表示为以下公式（II）：##STR2## 其中每个R.sub.1和R.sub.2，彼此独立，是氢; C.sub.1至C.sub.6的较低烷基; C.sub.5至C.sub.7的环烷基，具有取代基; C.sub.1至C.sub.4的烷基，具有一个至三个取代基的苯基; C.sub.1至C.sub.6的较低烷基，具有羟基，C.sub.1至C.sub.5的烷氧基或芳基氧基; C.sub.1至C.sub.7的低酰基，具有羟基，C.sub.1至C.sub.5的烷氧基或芳基氧基; C.sub.5至C.sub.7的环烷基羰基，具有一个至三个取代基; 或具有一个至三个取代基的苯基的C.sub.1至C.sub.4的酰基。
• Jineol, a Cytotoxic Alkaloid from the Centipede <i>Scolopendra subspinipes</i>
  作者：Surk-Sik Moon、Namsun Cho、Jongheon Shin、Youngwan Seo、Chong Ock Lee、Sang Un Choi

  DOI：10.1021/np960188t

  日期：1996.1.1

  Jineol(1), a new quinoline alkaloid, was isolated from the centipede Scolopendra subspinipes, and its structure was elucidated by 2D NMR experiments. Jineol exhibited modest cytotoxic activity in vitro against the growth of human tumor cell lines: A-549, SKOV-3, SK-Mel-2, XF-498, and HCT-15 cells.
• US5824689A
  申请人：——

  公开号：US5824689A

  公开（公告）日：1998-10-20