苯,1-甲氧基-3-(2-甲氧基乙基)- | 174460-89-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 苯,1-甲氧基-3-(2-甲氧基乙基)-
• 英文名称: 1-methoxy-3-(2-methoxyethyl)benzene
• 英文别名: Benzene, 1-methoxy-3-(2-methoxyethyl)-
• CAS: 174460-89-0
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: PEJNOMFZIJQFHQ-UHFFFAOYSA-N

物化性质

• 沸点：
  223.0±15.0 °C(Predicted)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  苯,1-甲氧基-3-(2-甲氧基乙基)- 在 氨 、 lithium 作用下， 以 四氢呋喃 为溶剂， 生成 3-(2-methoxyethyl)-2-cyclohexen-1-one
  参考文献：
  名称：

  Lipase-mediated resolution of 2-cyclohexen-1-ols as chiral buildingblocks en route to eburnane alkaloids

  摘要：

  Lipase catalyzed esterification of several 2-cyclohexen-1-ols proceeds with excellent enantioselectivity leading to (S)-enantiomers as promising chiral building blocks en route to eburnane alkaloids

  DOI：

  10.1016/s0957-4166(00)80519-4
• 作为产物：
  描述：

  3-甲氧基苯乙酸 在 氢氧化钾 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 苯,1-甲氧基-3-(2-甲氧基乙基)-
  参考文献：
  名称：

  Lipase-mediated resolution of 2-cyclohexen-1-ols as chiral buildingblocks en route to eburnane alkaloids

  摘要：

  Lipase catalyzed esterification of several 2-cyclohexen-1-ols proceeds with excellent enantioselectivity leading to (S)-enantiomers as promising chiral building blocks en route to eburnane alkaloids

  DOI：

  10.1016/s0957-4166(00)80519-4

文献信息

• 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE
  申请人：Horiuchi Yoshihiro

  公开号：US20120225876A1

  公开（公告）日：2012-09-06

  Disclosed is a compound represented by formula (1) or a pharmacologically acceptable salt thereof (In the formula, A represents a group that is represented by formula (A-1); R 1a and R 1b may be the same or different and each independently represents a C 1-6 alkyl group which may be substituted by one to three halogen atoms; m and n each independently represents an integer of 0-5; X 1 represents a hydroxyl group or an aminocarbonyl group; Z 1 represents a single bond or the like; and R 2 represents an optionally substituted C 1-6 alkyl group, an optionally substituted C 6-10 aryl group or the like.)

  公开了一种由公式(1)表示的化合物或其药理可接受的盐(在公式中，A代表由公式(A-1)表示的基团；R1a和R1b可以相同或不同，每个独立地表示一个可以由一个到三个卤素原子取代的C1-6烷基；m和n各自独立地表示0-5之间的整数；X1代表羟基或氨基甲酰基；Z1代表单键等；R2代表一个可选地取代的C1-6烷基，一个可选地取代的C6-10芳基等)。
• Fe-promoted cross coupling of homobenzylic methyl ethers with Grignard reagents via sp3 C–O bond cleavage
  作者：Shuang Luo、Da-Gang Yu、Ru-Yi Zhu、Xin Wang、Lei Wang、Zhang-Jie Shi

  DOI：10.1039/c3cc43616k

  日期：——

  The first iron-catalyzed formal cross coupling of homobenzylic methyl ethers with alkyl Grignard reagents is realized. The reaction is proposed to proceed through a sequence of dehydroalkoxylation to form the vinyl-intermediate, followed by Fe-catalyzed selective carbometalation to form a benzylic Grignard reagent.

  实现了高苄基甲基醚与烷基格氏试剂的第一次铁催化形式交叉偶联。建议该反应通过一系列的脱氢烷氧基化反应形成乙烯基中间体，然后通过铁催化的选择性碳金属化反应形成苄基格氏试剂。
• Catalytic Amination of β-(Hetero)arylethyl Ethers by Phosphazene Base <i>t</i>-Bu-P4
  作者：Masanori Shigeno、Ryutaro Nakamura、Kazutoshi Hayashi、Kanako Nozawa-Kumada、Yoshinori Kondo

  DOI：10.1021/acs.orglett.9b02309

  日期：2019.9.6

  We describe the catalytic amination of β-(hetero)arylethyl ethers with amines using the organic superbase t-Bu-P4 to obtain β-(hetero)arylethylamines. The reaction has a broad substrate scope and allows the transformations of electron-deficient and electron-neutral β-(hetero)arylethyl ethers with various amines including pyrrole, N-alkylaniline, diphenylamine, aniline, indole, and indoline derivatives

  我们描述了使用有机超碱t-Bu-P4的胺与β-（杂）芳基乙胺的催化胺化反应，以获得β-（杂）芳基乙胺。该反应具有广泛的底物范围，并允许缺电子和电子中性的β-（杂）芳基乙基醚与各种胺（包括吡咯，N-烷基苯胺，二苯胺，苯胺，吲哚和二氢吲哚衍生物）转化。机理研究表明，甲醇从底物上消除的两个反应途径是形成（杂）芳基烯烃，然后进行烯烃的加氢胺化。
• Asymmetric Arylation of Diazoesters with Anisoles Enabled by Cooperative Gold and Phosphoric Acid Catalysis
  作者：Guangyang Xu、Meirong Huang、Tao Zhang、Ying Shao、Shengbiao Tang、He Cao、Xinhao Zhang、Jiangtao Sun

  DOI：10.1021/acs.orglett.2c00709

  日期：2022.4.22

  An enantioselective insertion of a carbene into the Csp2–H bond of anisole derivatives has been accomplished using an achiral gold complex and a chiral phosphoric acid as the catalytic system, providing a novel protocol for the synthesis of chiral α,α-diaryl acetates. Density functional theory calculations reveal the reactivity and the origin of the enantioselectivity of this reaction.

  使用非手性金配合物和手性磷酸作为催化体系，将卡宾选择性插入苯甲醚衍生物的 Csp 2 -H 键，为合成手性 α,α-二芳基乙酸酯提供了新的方案。密度泛函理论计算揭示了该反应的反应性和对映选择性的起源。
• 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor
  申请人：Mizojiri Ryo

  公开号：US20090036444A1

  公开（公告）日：2009-02-05

  The present invention relates to a fused ring compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable a salt thereof, and a hepatitis C virus (HCV) polymerase inhibitor and a therapeutic agent for hepatitis C containing this compound. The compound of the present invention shows an anti-HCV activity based on the HCV polymerase inhibitory activity, and useful as an agent for the prophylaxis or treatment of hepatitis C.

  本发明涉及一种由以下式[I]表示的融合环化合物，其中每个符号如规范中所定义，或其药学上可接受的盐，以及一种丙型肝炎病毒（HCV）聚合酶抑制剂和治疗丙型肝炎的药物，本发明的化合物基于HCV聚合酶抑制活性具有抗HCV活性，是一种预防或治疗丙型肝炎的药剂。