4-methylpent-1-en-3-yl benzoate | 1234617-93-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-methylpent-1-en-3-yl benzoate
• CAS: 1234617-93-6
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: DMKVUKMHCWWGRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-methylpent-1-en-3-yl benzoate 、 sodium phenoxide 在 C₄₈H₅₀IrNO₄P 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以76%的产率得到(S)-((4-methylpent-1-en-3-yl)oxy)benzene
  参考文献：
  名称：

  Iridium-Catalyzed Kinetic Asymmetric Transformations of Racemic Allylic Benzoates

  摘要：

  Versatile methods for iridium-catalyzed, kinetic asymmetric substitution of racemic, branched allylic esters are reported. These reactions occur with a variety of aliphatic, aryl, and heteroaryl allylic benzoates to form the corresponding allylic substitution products in high yields (74-96%) with good to excellent enantioselectivity (84-98% ee) with a scope that encompasses a range of anionic carbon and heteroatom nucleophiles. These kinetic asymmetric processes occur with distinct stereochemical courses for racemic aliphatic and aromatic allylic benzoates, and the high reactivity of branched allylic benzoates enables enantioselective allylic substitutions that are slow or poorly selective with linear allylic electrophiles.

  DOI：

  10.1021/ja103779e
• 作为产物：
  描述：

  乙烯基氯化镁 、 苯甲酰氯 、 异丁醛 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以62%的产率得到4-methylpent-1-en-3-yl benzoate
  参考文献：
  名称：

  Iridium-Catalyzed Kinetic Asymmetric Transformations of Racemic Allylic Benzoates

  摘要：

  Versatile methods for iridium-catalyzed, kinetic asymmetric substitution of racemic, branched allylic esters are reported. These reactions occur with a variety of aliphatic, aryl, and heteroaryl allylic benzoates to form the corresponding allylic substitution products in high yields (74-96%) with good to excellent enantioselectivity (84-98% ee) with a scope that encompasses a range of anionic carbon and heteroatom nucleophiles. These kinetic asymmetric processes occur with distinct stereochemical courses for racemic aliphatic and aromatic allylic benzoates, and the high reactivity of branched allylic benzoates enables enantioselective allylic substitutions that are slow or poorly selective with linear allylic electrophiles.

  DOI：

  10.1021/ja103779e

文献信息

• [(<i>p</i>-Cymene)RuCl₂]₂: An Efficient Catalyst for Highly Regioselective Allylic Alkylations of Chelated Amino Acid Ester Enolates
  作者：Anton Bayer、Uli Kazmaier

  DOI：10.1002/chem.201402825

  日期：2014.8.11

  are excellent nucleophiles for ruthenium‐catalyzed allylic alkylations. Although [Cp*Ru(MeCN)3]PF6 was found to be the most reactive catalyst investigated, with the resulting allyl complexes reacting at temperatures as low as −78 °C, unfortunately the process took place with only moderate regio‐ and diastereoselectivity. In contrast, [(p‐cymene)RuCl2]2 allowed allylations to be performed with a high degree

  螯合的氨基酸酯烯醇盐是钌催化的烯丙基烷基化反应的优良亲核试剂。尽管发现[Cp * Ru（MeCN）3 ] PF 6是最活泼的催化剂，但生成的烯丙基络合物在低至-78°C的温度下反应，但不幸的是，该过程仅在区域和非对映选择性中等。相反，[（p- cymene）RuCl 2 ] 2允许烯丙基化具有高度的区域保留性。发现具有末端双键的仲烯丙基羧酸盐是反应性最强的底物，产生具有完美的区域保留和手性转移的支链氨基酸。在这种情况下，与类似物钯配合物相比，未观察到原位形成的Ru-烯丙基配合物的异构化。这个自由异构化协议也可以被用于（合成Ž）构型γ，δ不饱和氨基酸衍生物，从（起始ž）-烯丙基底物。在这里，发现活性更高的磷酸盐优于羧酸盐，以几乎定量的产量提供所需的氨基酸，并具有良好的区域和立体保留能力。因此，Ru催化的烯丙基化反应可以很好地克服Pd催化方法的缺点。
• Paraffin inhibitors
  申请人：Shmakova-Lindeman E. Olga

  公开号：US20050215437A1

  公开（公告）日：2005-09-29

  A paraffin inhibitor comprising a polymer composed of about 1 to about 98 weight percent of one or more C 1 -C 30 alkyl esters of acrylic acid; about 1 to about 98 weight percent of one or more C 1 -C 30 alkyl esters of methacrylic acid; and about 1 to about 30 weight percent of one or more olefinic monomers selected from the group consisting of (meth)acrylamide monomers, vinyl aromatic monomers, vinyl cycloalkyl monomers, vinyl heterocyclyl monomers, vinyl esters of aliphatic acids, vinyl esters of aromatic acids, vinyl esters of heterocyclic acids, maleimide and maleic anhydride wherein the alkyl ester portion of one of (a) or (b) is C 10 -C 30 alkyl, compositions comprising the polymer and methods of using the polymer to inhibit the deposition of paraffin from oil.

  一种石蜡抑制剂，包括由以下成分组成的聚合物：约1至约98重量％的1个或多个C1-C30烷基丙烯酸酯；约1至约98重量％的1个或多个C1-C30烷基甲基丙烯酸酯；以及约1至约30重量％的一种或多种烯烃单体，所述单体选自以下群组：（甲）丙烯酰胺单体，芳香乙烯单体，环烷基乙烯单体，杂环基乙烯单体，脂肪族酸的乙烯酯，芳香族酸的乙烯酯，杂环族酸的乙烯酯，马来酰亚胺和马来酸酐，其中（a）或（b）的烷基酯部分为C10-C30烷基。包括该聚合物的组合物以及使用该聚合物抑制石蜡从油中沉积的方法。
• INK-JET PRINTER INK
  申请人：Kappaun Stefan

  公开号：US20130053469A1

  公开（公告）日：2013-02-28

  The invention relates to an ink-jet printer ink comprising polymerizable monomers and/or oligomers and optionally at least one initiator, wherein the monomers and/or oligomers are formed at least up to 65% by weight, preferably exclusively, by at least one, preferably radically polymerizable, vinyl-based compound or the monomers and/or oligomers are formed at least partially, preferably exclusively, by at least one vinyl-based compound and the initiator is formed by monomers which react with the at least one vinyl-based compound during polymerization to form a covalent bond therewith.
• US7417009B2
  申请人：——

  公开号：US7417009B2

  公开（公告）日：2008-08-26
• [EN] BLOCK COPOLYMER PARTICLES<br/>[FR] PARTICULES DE COPOLYMERE SEQUENCE
  申请人：BOSTON SCIENT SCIMED INC

  公开号：WO2007076370A2

  公开（公告）日：2007-07-05

  [EN] Block copolymer particles, and related compositions and methods, are disclosed.
  [FR] L'invention concerne des particules de copolymère séquencé, ainsi que des compositions et des méthodes connexes.