2-(2-Methylallyl)-4-aethoxycarbonylphenol | 61074-58-6

• 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: 2-(2-Methylallyl)-4-aethoxycarbonylphenol
• 英文别名: ethyl 4-hydroxy-3-methallylbenzoate；4-hydroxy-3-(2-methylprop-2-enyl)benzoic acid ethyl ester；Ethyl 4-hydroxy-3-(2-methylprop-2-en-1-yl)benzoate；ethyl 4-hydroxy-3-(2-methylprop-2-enyl)benzoate
• CAS: 61074-58-6
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: ZRGRIBIALZXOIN-UHFFFAOYSA-N

物化性质

• 沸点：
  344.5±30.0 °C(Predicted)
• 密度：
  1.085±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-Methylallyl)-4-aethoxycarbonylphenol 在 甲酸 sodium hydroxide 、 水 作用下， 以 乙醇 为溶剂， 反应 4.75h， 生成 2,2-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid
  参考文献：
  名称：

  WO2008/152149

  摘要：

  公开号：
• 作为产物：
  描述：

  ethyl 4-((2-methylallyl)oxy)benzoate 生成 2-(2-Methylallyl)-4-aethoxycarbonylphenol
  参考文献：
  名称：

  喹啉指导的酰基C-O键活化与烯烃氧化反应的发展及机理研究

  摘要：

  描述了使用铑催化的8-喹啉基酯的羰基化作用，在烯烃上进行烷氧基和酰基取代基的分子内加成，烯烃的氧酰化。我们通过C-C键活化进行酮类分子内碳酰化的失败尝试最终使我们选择了通过喹啉定向的C-O键活化来追求和发展烯烃的分子内氧酰化。我们全面介绍了我们的催化剂发现，底物范围以及喹啉导向的烯烃氧酰化反应的机理实验。

  DOI：

  10.1021/acs.joc.6b03011

文献信息

• Intramolecular Oxycyanation of Alkenes by Cooperative Pd/BPh₃ Catalysis
  作者：Dennis C. Koester、Masato Kobayashi、Daniel B. Werz、Yoshiaki Nakao

  DOI：10.1021/ja301375c

  日期：2012.4.18

  intramolecular oxycyanation of alkenes through the cleavage of O-CN bonds and the subsequent insertion of double bonds. The use of 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (Xantphos) as a ligand for palladium is essential for allowing the transformation to proceed with high chemo- and regioselectivity. Variously substituted dihydrobenzofurans with both a tetra-substituted carbon and cyano functionality

  钯和三苯基硼烷的协同催化通过 O-CN 键的断裂和随后的双键插入来实现烯烃的分子内氧氰化。使用 4,5-双(二苯基膦)-9,9-二甲基呫吨 (Xantphos) 作为钯的配体对于允许转化以高化学和区域选择性进行是必不可少的。新开发的方法可以访问具有四取代碳和氰基官能团的各种取代的二氢苯并呋喃。
• Insertion of an Alkene into an Ester: Intramolecular Oxyacylation Reaction of Alkenes through Acyl CO Bond Activation
  作者：Giang T. Hoang、Venkata Jaganmohan Reddy、Huy H. K. Nguyen、Christopher J. Douglas

  DOI：10.1002/anie.201005767

  日期：2011.2.18

  Atom economy and esters: compatible now! The first catalytic insertion of a CC bond into an acyl CO bond was achieved using rhodium catalysts (see scheme). The products are β‐alkoxy ketones with a fully substituted carbon center. Quinoline chelating groups were employed to stabilize the Rh‐alkoxide intermediate.

  原子经济和酯类：现在兼容！一个CC键的第一催化插入酰基Ç  O键是使用铑催化剂（参见方案）来实现的。产物是具有完全取代的碳中心的β-烷氧基酮。喹啉螯合基团用于稳定Rh-醇盐中间体。
• Phenylenediamine derivative, radical scavenger, brain-infarction
  申请人：Shiseido Co., Ltd.

  公开号：US06083987A1

  公开（公告）日：2000-07-04

  A phenylenediamine derivative or a salt thereof in accordance with the present invention is expressed by the following formula 1: ##STR1## wherein A represents a group expressed by --CO--, --CH.sub.2 CO--, --CS--, or --SO.sub.2 --; Y represents a carbon atom or nitrogen atom; R.sub.1 represents a lower alkyl group; R.sub.2 represents a hydrogen, lower alkyl, alkenyl, benzyl, or benzoyl group; and each of R.sub.3 and R.sub.4 represents an alkyl group having 1-10 carbon atoms. The phenylenediamine derivative above mentioned, as a radical scavenger, has antioxidant effect and lipid peroxidation inhibitory activity so as to be available for inhibiting brain infarction or brain edema.

  根据本发明，苯二胺衍生物或其盐由以下式1表示：##STR1##其中A代表由--CO--，--CH.sub.2 CO--，--CS--或--SO.sub.2--表示的基团；Y代表碳原子或氮原子；R.sub.1代表较低的烷基基团；R.sub.2代表氢，较低的烷基，烯基，苄基或苯甲酰基团；而R.sub.3和R.sub.4各自代表具有1-10个碳原子的烷基基团。上述所述的苯二胺衍生物作为自由基清除剂具有抗氧化作用和抑制脂质过氧化活性，可用于抑制脑梗死或脑水肿。
• Benzamide derivatives, anti-ulcer drug, and antibacterial drug
  申请人：Shiseido Co., Ltd.

  公开号：US05891890A1

  公开（公告）日：1999-04-06

  A benzamide derivative or a salt thereof expressed by the following formula 1: ##STR1## wherein R.sub.1 is hydrogen atom or a lower alkyl group; R.sub.2 is a benzyl or an alkenyl group; and n is an integer of 1 to 6. The benzamide derivative or a salt thereof has an anti-ulcer effect or an antibacterial activity against Hedicobacter pyroli, and has also high safety to be available for prevention or cure of ulcers.

  以下是中文翻译：一种由下式1表示的苯甲酰胺衍生物或其盐：其中R.sub.1是氢原子或低碳烷基；R.sub.2是苄基或烯基；n为1到6的整数。该苯甲酰胺衍生物或其盐具有抗溃疡作用或对幽门螺杆菌的抗菌活性，并且对预防或治疗溃疡具有高度安全性。
• N-acylpiperazine derivative, antibacterial drug and anti-ulcer drug
  申请人：Shiseido Co., Ltd.

  公开号：US05756505A1

  公开（公告）日：1998-05-26

  An N-acylpiperazine derivative or a salt thereof in accordance with the present invention is represented by the following formula 1: ##STR1## wherein R.sub.1 represents a lower alkyl, hydroxy lower alkyl, lower acyl, or arylcarbonyloxy lower alkyl group; R.sub.2 represents hydrogen atom or a lower alkyl, lower alkoxy, lower alkenyl, amino, or nitro group; R.sub.3 and R.sub.4, which are identical to or different from each other, represent hydrogen atoms, halogen atoms, or cyano, nitro, lower alkyl, or lower alkoxy groups; and n represents 0 or 1. The N-acylpiperazine derivative has anti-ulcer effect or an antibacterial activity against Helicobacter pyroli to be available for prevention or cure of ulsers.

  根据本发明，N-酰基哌嗪衍生物或其盐由以下化学式1表示：##STR1##其中R.sub.1代表较低的烷基、羟基较低的烷基、较低的酰基或芳基羰基氧较低的烷基基团；R.sub.2代表氢原子或较低的烷基、较低的烷氧基、较低的烯烃基、氨基或硝基基团；R.sub.3和R.sub.4，它们相同或不同，代表氢原子、卤素原子或氰基、硝基、较低的烷基或较低的烷氧基团；n代表0或1。该N-酰基哌嗪衍生物具有抗溃疡作用或对幽门螺杆菌的抗菌活性，可用于预防或治疗溃疡。