4-Isopropyl-zimtsaeureethylester | 32580-69-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4-Isopropyl-zimtsaeureethylester
• 英文别名: 4-isopropyl-cinnamic acid ethyl ester；4-Isopropyl-zimtsaeure-aethylester；Ethyl-4-isopropylcinnamate；ethyl 3-(4-propan-2-ylphenyl)prop-2-enoate
• CAS: 32580-69-1
• 化学式: C₁₄H₁₈O₂
• 分子量: 218.296
• InChiKey: XCRHYAQWBYDRGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• 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

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  4-Isopropyl-zimtsaeureethylester 在 乙醇 、 sodium 作用下， 生成 3-(4-异丙基苯基)-1-丙醇
  参考文献：
  名称：

  Ruzicka; Stoll, Helvetica Chimica Acta, 1922, vol. 5, p. 934

  摘要：

  DOI：
• 作为产物：
  描述：

  1-碘-4-异丙苯 、 丙烯酸乙酯 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 以50%的产率得到4-Isopropyl-zimtsaeureethylester
  参考文献：
  名称：

  Highly Active, Selective, and Reusable RuO₂/SWCNT Catalyst for Heck Olefination of Aryl Halides

  摘要：

  Very fine RuO2 nanopartides (RuO(2)NPs) with a mean diameter of about 0.9 nm were decorated on single-walled carbon nanotubes (SWCNTs) by a straightforward "dry synthesis" method. TEM images and the Raman spectrum of the resultant material (RuO2/SWCNT) revealed excellent adhesion and homogeneous dispersion of the RuO(2)NPs on anchoring sites of the SVVCNTs. The surface area of RuO2/SWCNT was found to be 416 m(2) g(-1). The SEM-EDS results showed that the weight percentage of Ru in RuO2/SWCNT was 13.8%. The oxidation state of Ru in RuO2/SWCNT was +4, as confirmed by XPS and XRD analyses. After the complete characterization, a 0.9 mol % loading of RuO2/SWCNT was used as a nanocatalyst for the Heck olefination of a wide range of aryl halides to yield products in excellent yields with good turnover numbers and turnover frequencies. Less reactive bromo- and chloroarenes were also used for the formation of coupled products in good yields. RuO2/SWCNT is regioselective, chemoselective, heterogeneous in nature, and reusable. The stability of RuO2/SWCNT was also studied by means of TEM, ICP-MS, SEM EDS, and XPS analyses.

  DOI：

  10.1021/cs500460m

文献信息

• Ligand-accelerated non-directed C–H functionalization of arenes
  作者：Peng Wang、Pritha Verma、Guoqin Xia、Jun Shi、Jennifer X. Qiao、Shiwei Tao、Peter T. W. Cheng、Michael A. Poss、Marcus E. Farmer、Kap-Sun Yeung、Jin-Quan Yu

  DOI：10.1038/nature24632

  日期：2017.11

  challenges associated with the lack of sufficiently active palladium catalysts. Currently used palladium catalysts are reactive only with electron-rich arenes, unless an excess of arene is used, which limits synthetic applications. Here we report a 2-pyridone ligand that binds to palladium and accelerates non-directed C–H functionalization with arene as the limiting reagent. This protocol is compatible with

  碳氢键 (C-H) 的定向活化在合成有用反应的发展中很重要，因为通过配位官能团实现了邻近诱导的反应性和选择性。钯催化的非定向 C-H 活化有可能实现进一步有用的反应，因为它可以到达更远的位置并应用于不含适当定向基团的底物；然而，由于缺乏足够活性的钯催化剂，它的发展面临着巨大的挑战。目前使用的钯催化剂仅与富电子芳烃反应，除非使用过量的芳烃，这限制了合成应用。在这里，我们报告了一种 2-吡啶酮配体，它与钯结合并以芳烃为限制剂加速非定向 C-H 功能化。该协议与广泛的芳香底物兼容，我们展示了不能过量使用的高级合成中间体、药物分子和天然产物的直接功能化。我们还开发了 C-H 烯化和羧化方案，证明了我们的方法对其他转化的适用性。这些转化中的位点选择性受空间和电子效应的组合控制，吡啶酮配体增强了空间对选择性的影响，从而为定向 C-H 功能化提供了互补的选择性。该协议与广泛的芳香底物兼容，我们展示了不能
• Gold-Catalyzed [2,3]-Sigmatropic Rearrangement: Reaction of Aryl Allyl Alcohols with Diazo Compounds
  作者：Santhosh Rao、Kandikere Ramaiah Prabhu

  DOI：10.1021/acs.orglett.6b03836

  日期：2017.2.17

  A gold-catalyzed [2,3]-sigmatropic rearrangement reaction has been developed. The intermolecular rearrangement occurs between in situ generated donor–acceptor gold–carbenes and cinnamyl alcohols via tandem oxonium ylide formation. The desired rearranged product has been accomplished selectively over more conventional O–H insertion, cyclopropanation, cycloaddition, and C–H functionalization products

  已经开发了金催化的[2,3]-σ重排反应。分子间重排发生在原位产生的供体-受体金-卡宾与肉桂醇之间，通过串联叶立德形成。在较温和的露天条件下，所需的重排产物已选择性地比常规的OH插入，环丙烷化，环加成和CHH功能化产物选择性地完成。通过合成一类新的可用于构建复杂分子靶标的底物，说明了这项工作的范围。
• Isoxazole compounds useful for the prophylaxis or treatment of nervous
  申请人：Sankyo Company, Limited

  公开号：US06005116A1

  公开（公告）日：1999-12-21

  Isoxazole compounds having the following general formula: ##STR1## wherein R.sup.1 represents an optionally substituted aryl group or aromatic heterocyclic group; R.sup.2 represents a hydrogen atom, a halogen atom, an optionally substituted alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a cycloalkenyl group, an alkoxy group, a cyano group, a carboxyl group, an alkanoyl group, an alkoxycarbonyl group or an optionally substituted carbamoyl group; R.sup.3 represents an optionally substituted amino group or a saturated heterocyclic group; X represents an oxygen atom or a sulfur atom; and n is an integer of from 2 to 6. These compounds have excellent monoamine oxidase inhibitory activity and are useful as a therapeutic agent or a preventive agent against nervous diseases such as depression.

  具有以下一般式的异噁唑化合物：##STR1## 其中 R.sup.1 代表可选取代的芳基或芳香杂环基；R.sup.2 代表氢原子、卤原子、可选取代的烷基、烯基、炔基、环烷基、环烯基、烷氧基、氰基、羧基、酰基、烷氧羰基或可选取代的氨基甲酰基；R.sup.3 代表可选取代的氨基或饱和杂环基；X 代表氧原子或硫原子；n 为2到6的整数。这些化合物具有出色的单胺氧化酶抑制活性，并可用作治疗剂或预防神经疾病如抑郁症的药物。
• Water-in-Oil Emulsified Skin Cosmetic
  申请人：Shiseido Company, Ltd.

  公开号：US20140348765A1

  公开（公告）日：2014-11-27

  The present invention relates to a water-in-oil emulsified skin cosmetic comprising the following ingredients (a) through (e): (a) Water: 5-50 wt % (b) Ethanol: 1-20 wt % (c) Volatile oil component: 2-50 wt % (d) Carboxy decyl trisiloxane represented by the following formula (1): 0.1-5 wt % (e) One, two or more selected from a group consisting of hydrophobized titanium dioxide, hydrophobized zinc oxide, and hydrophobized iron oxide: 2-50 wt %. The object of the present invention is to provide a water-in-oil emulsified skin cosmetic containing the aforementioned powder (e) wherein powdery squeakiness over time after application on the skin is suppressed and at the same time absorption into the skin at the time of application and the absence of stickiness after application on the skin are improved.

  本发明涉及一种水油乳化皮肤化妆品，包括以下成分(a)至(e)：(a) 水：5-50重量%(b) 乙醇：1-20重量%(c) 挥发性油组分：2-50重量%(d) 以下式(1)所表示的羧基十二硅氧烷：0.1-5重量%(e) 从疏水性钛白粉、疏水性氧化锌和疏水性氧化铁组成的群体中选择一种、两种或更多：2-50重量%。本发明的目的是提供一种含有上述粉末(e)的水油乳化皮肤化妆品，其中在涂抹于皮肤后，经过一段时间后，粉末的嘶嘶声被抑制，同时在涂抹时吸收到皮肤中并且涂抹后不粘腻。
• Sharma, Mukul; Rajesh, U. Chinna; Rawat, Diwan S., Journal of the Indian Chemical Society, 2013, vol. 90, # 10, p. 1853 - 1860
  作者：Sharma, Mukul、Rajesh, U. Chinna、Rawat, Diwan S.

  DOI：——

  日期：——