2-丁烯酸戊酯 | 25415-76-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-丁烯酸戊酯
• 英文名称: crotonic acid n-pentyl ester
• 英文别名: But-2-enoic acid pentyl ester；pentyl but-2-enoate
• CAS: 25415-76-3
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: PWYYERNADDIMJR-UHFFFAOYSA-N

物化性质

• 沸点：
  194.6±9.0 °C(Predicted)
• 密度：
  0.896±0.06 g/cm3(Predicted)
• LogP：
  3.442 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 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

安全信息

• 海关编码：
  2916190090

反应信息

• 作为反应物：
  描述：

  2-丁烯酸戊酯 在 N-溴代丁二酰亚胺(NBS) 、 sodium iodide 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 丙酮 为溶剂， 生成 n-Pentyl-4-jod-crotonat
  参考文献：
  名称：

  4-取代巴豆酸酯的抗真菌活性。

  摘要：

  测试了23种4个取代的巴豆酸酯对白色念珠菌，黑曲霉，Mucor mucedo和毛癣菌的抗真菌活性。对于在4位上含有取代基的甲酯的类似物，观察到以下真菌毒性顺序：I大于Br大于Cl大于CH3S大于CH3O大于F ＝ H。在4-碘和4-溴化合物的酯的同系物中，包括甲基，乙基，正丙基，正丁基，正戊基和正己基，4-碘巴豆酸乙酯对四种真菌的毒性最高。在10％牛肉血清（白色念珠菌，18杯/毫升，黑曲霉，40杯/毫升，M。mucedo，5杯/毫升，薄荷茶，4杯/毫升）存在下于pH 7.0搅拌。据认为，真菌毒性的机理部分归因于涉及含SH的化合物的亲核反应。

  DOI：

  10.1021/jm00230a019

文献信息

• Preparation of substituted butenolides via palladium-free etherification and amination of masked mucohalic acids
  申请人：Blazecka Garth Peter

  公开号：US20050059831A1

  公开（公告）日：2005-03-17

  Methods and materials for preparing 4-substituted-2-buten-4-olides are disclosed. The methods include reacting a masked mucohalic acid with a primary or secondary amine or with an arylol in the presence of a base. Unlike existing processes, the disclosed methods do not require the use of palladium, which make them well suited for preparing intermediates in drug syntheses.

  公开了制备4-取代-2-丁烯-4-醇内酯的方法和材料。该方法包括在碱存在下将掩蔽的黏膜酸与一级或二级胺或芳基醇反应。与现有的方法不同，公开的方法不需要使用钯，这使它们非常适合用于制备药物合成中间体。
• METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE
  申请人：Tomokawa Junichi

  公开号：US20130123505A1

  公开（公告）日：2013-05-16

  A carboxamide can be produced in a high yield by a method for producing a carboxamide, for example, represented by formula (4): (wherein R 1 and R 3 are as defined below), the method comprising a step of allowing a carboxylic acid ester represented by formula (1): (wherein R 1 represents an optionally substituented C 1 -C 20 hydrocarbon group or an optionally substituented C 3 -C 20 heterocyclic group, and R 2 represents an optionally substituented C 1 -C 20 hydrocarbon group), an amine represented by formula (2): R 3 —NH 2 (2) (wherein R 3 represents a hydrogen atom or an optionally substituented C 1 -C 20 hydrocarbon group), and a formamide compound represented by formula (3): (wherein R 3 is as defined above) to react in the presence of a metal alkoxide.

  通过一种生产羧酰胺的方法可以高产率生产羧酰胺，例如，如公式（4）所示的方法：（其中R1和R3如下定义），该方法包括允许由公式（1）表示的羧酸酯（其中R1表示可选取代的C1-C20烃基或可选取代的C3-C20杂环基，R2表示可选取代的C1-C20烃基），由公式（2）表示的胺：R3—NH2（2）（其中R3表示氢原子或可选取代的C1-C20烃基），以及由公式（3）表示的甲酰胺化合物（其中R3如上所定义）在金属烷氧化物存在下反应的步骤。
• Acid-degradable resin compositions containing ketene-aldehyde copolymer
  申请人：Sudo Atsushi

  公开号：US20050130057A1

  公开（公告）日：2005-06-16

  It is intended to provide compositions to be used in resists and the like for forming fine patterns with a high sensitivity and a high resolution by increasing the difference in the solubilities between exposed parts and unexposed parts. Acid-degradable compositions contain a polymer having a repeating unit represented by the following general formula (I): wherein R 1 and R 2 independently represent hydrogen atom, halogen atom, C 1-20 hydrocarbon group, a heterocyclic group, a cyano group, a nitro group, C(═O)R 4 group, S(O) n R 4 group, P(═O)(R 4 ) 2 group or M(R 4 ) 3 group; R 3 represents C 1-20 hydrocarbon group or a heterocyclic group: R 4 represents C 1-20 hydrocarbonoxy group, C 1-20 hydrocarbon group, C 1-20 hydrocarbonthio group or mono- or di-C 1-20 hydrocarbonamino group; M represents a silicon, germanium, tin or lead atom; and n is 0, 1 or 2 , and an acid or a compound capable of generating an acid in response to an external stimulus.

  本发明旨在提供用于制备高灵敏度和高分辨率细微图案的抗蚀剂等组合物，通过增加曝光部分和未曝光部分之间的溶解度差异。可降解酸性组合物包含具有以下通式（I）所表示的重复单元的聚合物：其中，R1和R2独立地表示氢原子、卤素原子、C1-20碳氢基团、杂环基团、氰基团、硝基团、C（═O）R4基团、S（O）nR4基团、P（═O）（R4）2基团或M（R4）3基团；R3表示C1-20碳氢基团或杂环基团；R4表示C1-20碳氢氧基团、C1-20碳氢基团、C1-20碳氢硫基团或单烷基或二烷基氨基基团；M表示硅、锗、锡或铅原子；n为0、1或2，以及一种酸或能够响应外部刺激产生酸的化合物。
• Acrylic Acid-Based Polymer and Method of Producing the Same
  申请人：Kubo Hideo

  公开号：US20090111961A1

  公开（公告）日：2009-04-30

  Disclosed are an acrylic acid-based polymer which is a star polymer containing a repeating unit derived from an (α-lower alkyl)acrylic ester represented by formula (I): (wherein R 1 represents a hydrogen atom or a lower alkyl group, and R 2 represents an organic group having a polar group) in an arm portion; an acrylic acid-based polymer containing a repeating unit derived from an poly(α-lower alkyl)acrylic ester and a repeating unit derived from an (α-lower alkyl)acrylic ester represented by formula (I), and a method for producing a polymer through living polymerization, comprising forming an oligomer having a polymerization active end, which is an oligomer higher than an average 1.0-mer and lower than an average 4.0-mer or an average 4.0-mer, and polymerizing using the oligomer having a polymerization active end as an initiating species.

  本发明涉及一种基于丙烯酸的星型聚合物，其包含来自式（I）所表示的（α-较低烷基）丙烯酸酯的重复单元的臂部分；以及一种基于丙烯酸的聚合物，其包含来自聚（α-较低烷基）丙烯酸酯和式（I）所表示的（α-较低烷基）丙烯酸酯的重复单元，并且本发明还提供了通过活性聚合制备聚合物的方法，包括形成具有聚合活性端的寡聚体，该寡聚体高于平均1.0-聚体但低于平均4.0-聚体或平均4.0-聚体，并以具有聚合活性端的寡聚体作为引发物种进行聚合。
• ACRYLIC ACID-BASED POLYMER AND METHOD OF PRODUCING THE SAME
  申请人：Kubo Hideo

  公开号：US20110046333A1

  公开（公告）日：2011-02-24

  Disclosed are an acrylic acid-based polymer which is a star polymer containing a repeating unit derived from an (α-lower alkyl)acrylic ester represented by formula (I): (wherein R 1 represents a hydrogen atom or a lower alkyl group, and R 2 represents an organic group having a polar group) in an arm portion; an acrylic acid-based polymer containing a repeating unit derived from an poly(α-lower alkyl)acrylic ester and a repeating unit derived from an (α-lower alkyl)acrylic ester represented by formula (I), and a method for producing a polymer through living polymerization, comprising forming an oligomer having a polymerization active end, which is an oligomer higher than an average 1.0-mer and lower than an average 4.0-mer or an average 4.0-mer, and polymerizing using the oligomer having a polymerization active end as an initiating species.

  本文揭示了一种基于丙烯酸的星形聚合物，其包含由公式(I)表示的(α-低烷基)丙烯酸酯衍生的重复单元的臂部分；一种基于丙烯酸的聚合物，其中包含由聚(α-低烷基)丙烯酸酯和由公式(I)表示的(α-低烷基)丙烯酸酯衍生的重复单元，并且通过活性聚合法制备聚合物的方法，包括形成具有聚合活性端的寡聚物，该寡聚物高于平均1.0-聚体但低于平均4.0-聚体或平均4.0-聚体，并使用具有聚合活性端的寡聚物作为引发物种进行聚合。