1-methoxy-2-(1-methylheptyl)benzene | 144881-96-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-methoxy-2-(1-methylheptyl)benzene
• 英文别名: 1-methoxy-2-(octan-2-yl)benzene；1-Methoxy-2-octan-2-ylbenzene
• CAS: 144881-96-9
• 化学式: C₁₅H₂₄O
• 分子量: 220.355
• InChiKey: OGGSYZBZNDMTJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  辛烯 、 苯甲醚 在 C₄₇H₆₄N₅Sc 、 三苯碳四(五氟苯基)硼酸盐 作用下， 以 甲苯 为溶剂， 以23 %的产率得到1-methoxy-2-(1-methylheptyl)benzene
  参考文献：
  名称：

  阳离子咪唑啉-2-亚胺钪(III)烷基配合物对苯甲醚与烯烃进行区域选择性C-H烷基化

  摘要：

  合成了一种由单阴离子咪唑啉-2-亚胺基配体负载的新型稀土烷基配合物，并通过 X 射线衍射和核磁共振分析进行了结构表征。这些咪唑啉-2-亚氨基稀土烷基配合物在有机合成中的实用性通过它们在苯甲醚与烯烃的高度区域选择性C-H烷基化中的表现得到了证明。在低至0.5 mol%的催化剂负载量下，各种无邻位取代或2-甲基取代的苯甲醚衍生物与多种烯烃在温和条件下反应，在高反应速率下生成相应的邻位-Csp 2 -H和苄基Csp 3 -H烷基化产物。产量（56 个例子，16-99% 的产量）。对照实验表明，稀土离子、辅助咪唑啉-2-亚胺配体和碱性配体对于上述转化至关重要。基于氘标记实验、反应动力学研究和理论计算，提供了可能的催化循环来阐明反应机理。

  DOI：

  10.1039/d2sc06725k

文献信息

• Regioselective CH Alkylation of Anisoles with Olefins Catalyzed by Cationic Half-Sandwich Rare Earth Alkyl Complexes
  作者：Juzo Oyamada、Zhaomin Hou

  DOI：10.1002/anie.201206233

  日期：2012.12.14

  A half sandwich helping: Cationic rare‐earth alkyl species generated from half‐sandwich rare‐earth dialkyl complexes and [Ph3C][B(C6F5)4] can serve as unique catalysts for the CH regioselective alkylation of anisoles with alkenes. The reaction affords either ortho‐monoalkylated derivatives or products substituted at the benzylic position, depending on the substrate chosen.

  半三明治有助于：由半三明治稀土二烷基配合物和[Ph 3 C] [B（C 6 F 5）4 ]生成的阳离子稀土烷基可作为CH区域选择性烷基化的独特催化剂烯烃的芳烃。根据所选择的底物，反应可提供邻-单烷基化的衍生物或在苄基位置被取代的产物。
• Method for producing an aromatic compound having an alkyl group with at least three carbon atoms
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0985649A2

  公开（公告）日：2000-03-15

  Aromatic compounds having an alkyl group with at least 3 carbon atoms are produced in a process comprising at least one of the following steps: (1) a step of contacting a starting material that contains an aromatic compound having a branched alkyl group with at least 3 carbon atoms, with a zeolite-containing catalyst in a liquid phase in the presence of hydrogen therein, thereby changing the position of the carbon atoms of the alkyl group bonding to the aromatic ring of the compound; (2) a step of contacting a starting material that contains an aromatic compound having a branched alkyl group with at least 3 carbon atoms, with a catalyst containing zeolite and containing rhenium and/or silver, in a liquid phase, thereby changing the position of the carbon atoms of the alkyl group bonding to the aromatic ring of the compound; (3) a step of contacting a halogenated aromatic compound having an alkyl group with at least 3 carbon atoms, with an acid-type catalyst, thereby isomerizing the compound; and (4) a step of treating a mixture of isomers of an aromatic compound having an alkyl group with at least 3 carbon atoms, with a zeolite adsorbent that contains at least one exchangable cation selected from alkali metals, alkaline earth metals, lead, thallium and silver, thereby separating a specific isomer from the isomer mixture through adsorption.

  具有至少 3 个碳原子烷基的芳香族化合物的生产工艺至少包括以下一个步骤： (1) 将含有至少 3 个碳原子的支链烷基的芳香族化合物的起始原料在液相中与含沸石的催化剂在氢存在的情况下接触，从而改变烷基的碳原子与化合物的芳香环键合的位置； (2) 将含有芳香族化合物的起始原料与含沸石和含铼和/或银的催化剂在液相中接触，该芳香族化合物具有至少 3 个碳原子的支链烷基，从而改变烷基碳原子与化合物芳香环键合的位置； (3) 将具有至少 3 个碳原子的烷基的卤代芳香族化合物与酸型催化剂接触，从而使该化合物异构化；以及 (4) 用沸石吸附剂处理具有至少 3 个碳原子的烷基的芳香族化合物的异构体混合物，该沸石吸附剂含有至少一种选自碱金属、碱土金属、铅、铊和银的可交换阳离子，从而通过吸附从异构体混合物中分离出特定的异构体。
• Gallium dichloride-mediated reductive Friedel-Crafts reaction
  作者：Yukihiko Hashimoto、Kazuyuki Hirata、Hirotaka Kagoshima、Nobuhiro Kihara、Masaki Hasegawa、Kazuhiko Saigo

  DOI：10.1016/s0040-4020(01)87183-0

  日期：1993.7

  In the presence of gallium dichloride, the reaction of carbonyl compounds or their dimethylacetals with aromatic compounds afforded Friedel-Crafts alkylated adducts in good yields. It was suggested that the adducts were obtained by way of a reduction of the carbonyl compounds or their dimethylacetals, followed by the Friedel-Crafts reaction in one-pot. This is the first organic synthetic method with gallium dichloride, low valent gallium.
• US6462248B1
  申请人：——

  公开号：US6462248B1

  公开（公告）日：2002-10-08