methyl α-pentyl acrylate | 69565-06-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl α-pentyl acrylate
• 英文别名: α-Vinylidenheptansaeuremethylester；α-n-Pentylacrylsaeuremethylester；Methyl 2-methyleneheptanoate；methyl 2-methylideneheptanoate
• CAS: 69565-06-6
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: MWWBLOIGRLMRIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  methyl α-pentyl acrylate 、 methyl 1-diphenylmethylaminoethyl phosphinate 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 Methyl 2-[[1-(benzhydrylamino)ethyl-methoxyphosphoryl]methyl]heptanoate
  参考文献：
  名称：

  A Convenient One-Pot Synthesis of Phosphino-Dipeptide Analogs

  摘要：

  A general "one-pot" synthetic method is described for the preparation of phosphinodipeptides of type 1, in 60-80% overall yield, allowing the variation of the substituents in alpha and/or beta position to the phosphorus atom and also in a position to the nitrogen atom.

  DOI：

  10.1080/10426500212259
• 作为产物：
  描述：

  2-戊基丙二酸二乙酯 在 吡啶 、 盐酸 、 氢氧化钾 、 水 作用下， 生成 methyl α-pentyl acrylate
  参考文献：
  名称：

  Preparation of phosphinodipeptide analogs as building blocks for pseudopeptides synthesis

  摘要：

  A simple and effective preparation of phosphinodipeptides, in good overall yields, has been developed, This one pot procedure, allowing the variation of the substituents in alpha and/or beta position to the phosphorus atom and also in alpha position to the nitrogen atom, consists in the addition of alkyl hypophosphites to imines. followed by Michael-addition on acrylates. To show the value of phosphinodipeptides analogs I as synthetic intermediates, selective deprotections of the three functional groups are described. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01238-4

文献信息

• Palladium(II)-catalyzed catalytic aminocarbonylation and alkoxycarbonylation of terminal alkynes: regioselectivity controlled by the nucleophiles
  作者：Rami Suleiman、Jimoh Tijani、Bassam El Ali

  DOI：10.1002/aoc.1585

  日期：——

  the selectivity towards the gem or trans unsaturated esters or amides with these nucleophiles. The effects of the type of palladium catalysts, the type of ligands, the amount of dppb and the solvents were carefully studied. With diisobutylamine (2b1), excellent regioselectivity towards the 2‐acrylamides (gem isomer, 3ab1) was almost always observed, while trans‐α,β‐unsaturated esters 4ac1 was the predominant

  末端炔烃氨基羰基和烷氧羰基的反应发生平稳且高效地使用的催化剂体系的Pd（OAC）2 -dppb- p -TsOH  CH 3 CN  CO相对温和的实验条件下。使用两种不同的亲核试剂（醇和胺）对催化体系进行了测试和优化。苯乙炔（1a）被认为是炔烃，而二异丁胺（2b 1）和甲醇（2c 1）被认为是亲核试剂。结果显示1a的转化率和对宝石或反式的选择性的显着差异这些亲核试剂的不饱和酯或酰胺。仔细研究了钯催化剂类型，配体类型，dppb量和溶剂的影响。使用二异丁胺（2b 1），几乎总是观察到对2-丙烯酰胺（宝石异构体3ab 1）具有极好的区域选择性，而反式α，β-不饱和酯4ac 1是以甲醇（2c 1）为亲核试剂的主要产物。。这种对反应选择性的显着敏感性表明了这些羰基化反应的两种不同的可能机理。版权所有©2009 John Wiley＆Sons，Ltd.
• Effect of Double-Bond Substituents on the Rate of Cyclization of α-Carbomethoxyhex-5-enyl Radicals
  作者：Arthur Han、Tudor Spataru、John Hartung、Gang Li、Jack R. Norton

  DOI：10.1021/jo402499w

  日期：2014.3.7

  the corresponding acrylate esters 1 and the yields of cyclized products compared to the calculated rate constants. (The “cyclized products” include those from cyclohydrogenation, 4, and those from cycloisomerization, 9.) Two phenyl substituents on C6 (2i), or a phenyl and a methyl substituent (2g, 2h), increase the rate of cyclization, but a single phenyl substituent on C6 produces a greater increase

  已经计算出速率常数，并将其与实验结果进行比较，以对在C6上具有各种取代基的1-甲氧基-1-甲基-5-己烯基自由基（2）进行环化。通过DFT在B3LYP / 6-311 ++ G **的理论水平上进行了计算。它们显示了C5和自由基中心之间的相当大的相互作用，即使在所有自由基2的基态下也是如此。在实验上，自由基是通过H •转移至相应的丙烯酸酯1生成的，并将环化产物的产率与计算出的速率常数进行比较。（“环化产物”包括来自环氢化的产物4和来自环异构化的产物9。）C6（2i）上的两个苯基取代基，或苯基和甲基取代基（2g，2h）提高环化率，但C6上的单个苯基取代基产生更大的环化。计算表明，两个苯基取代基在过渡态中被扭曲以进行环化，而单个苯基取代基在该过渡态中保持平坦。C6上的甲基取代基与单个苯基一起导致苯基在过渡态发生扭曲，并使环化的速率常数降低到H / Ph-取代的2e，2f之下。
• TRICYCLIC AROMATICS AND LIQUID-CRYSTALLINE MEDIUM
  申请人：Eidenschink Rudolf

  公开号：US20090131689A1

  公开（公告）日：2009-05-21

  The invention relates to tricyclic aromatics of the general formula I in which A 1 , A 2 , A 3 , A 4 , Q 1 -Q 2 , R 1 , R 2 , X 1 , X 2 , X 3 , Z 1 , Z 2 , Z 3 , Z 4 , q, r, s, t and u have the meaning indicated, and to the use thereof as components of liquid-crystalline media and to an electro-optical display element containing same.

  该发明涉及一般式I的三环芳烃，其中A1、A2、A3、A4、Q1-Q2、R1、R2、X1、X2、X3、Z1、Z2、Z3、Z4、q、r、s、t和u具有指示的含义，并将其用作液晶介质的组分，以及含有它们的电光显示元件。
• Hindered Amine Nitric Oxide Donating Polymers for Coating Medical Devices
  申请人：Cheng Peiwen

  公开号：US20070264225A1

  公开（公告）日：2007-11-15

  Disclosed are hindered amine nitric oxide (NO) donating polymers for coating implantable medical devices. The polymers include sterically hindered secondary amines that do not react with monomer carbonyls or electrophilic alkenes, facilitating the synthesis of the NO donating polymers. The polymers are coated on implantable medical devices, providing anti-restenosis therapy by the release of NO at the implantation site.

  本发明涉及一种用于涂覆植入式医疗器械的受阻胺硝酸氧化物（NO）捐赠聚合物。该聚合物包括具有立体位阻的次级胺，不与单体羰基或亲电性烯烃反应，从而便于合成NO捐赠聚合物。该聚合物被涂覆在植入式医疗器械上，在植入部位释放NO，提供抗再狭窄治疗。
• Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes
  申请人：McDaniel C. Steven

  公开号：US20100210745A1

  公开（公告）日：2010-08-19

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peotide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文公开了一些聚合材料，如涂层、塑料、层压板、复合材料、弹性体、粘合剂或密封剂；一种表面处理，如纺织品涂层或蜡；一种填料，用于这样的聚合材料或表面处理，其中包括一种酶，如酯酶（例如，脂肪水解酶，硫酸酯水解酶，有机磷化合物降解酶），降解细胞壁和/或细胞膜成分的酶（例如，溶菌酶，裂解转糖基酶），生物杀菌或生物静态肽，以及/或肽酶。本文还公开了通过将酶纳入可通过脂肪水解酶、水解酶和/或脲酶的活性交联材料中来改变材料性能，如使用寿命、柔韧性或刚度的方法。