异丁酸异戊酯 | 2445-69-4

• 物质功能分类: 香精与香料 - 合成香料 - 羧酸及酯类香料
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 异丁酸异戊酯
• 中文别名: 异丁酸2-甲基丁酯；2-甲基丁基异丁酸酯； 2-甲基丁基异丁酸酯
• 英文名称: 2-methylpropanoic acid 2-methylbutyl ester
• 英文别名: 2-methylbutyl isobutyric acid ester；2-methylbutyl isobutanoate；2-methylbutyl isobutyrate；isobutyric acid-(2-methyl-butyl ester)；Isobuttersaeure-(2-methyl-butylester)；2-methyl-propanoic acid, 2-methylbutyl ester；2-methylbutyl 2-methylpropanoate
• CAS: 2445-69-4
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: DUAXUBMIVRZGCO-UHFFFAOYSA-N

物化性质

• 熔点：
  -73°C (estimate)
• 沸点：
  183.34°C (estimate)
• 密度：
  0.8809 (estimate)
• LogP：
  3.021 (est)
• 保留指数：
  989;1001;1001;1002;1004;999;1002;1002;1002;1002;1002;991;1002;1002

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915600000

反应信息

• 作为产物：
  描述：

  2-甲基丁醇 、 异丁酰氯 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以80.4%的产率得到异丁酸异戊酯
  参考文献：
  名称：

  Nematicidal Activity of Natural Ester Compounds and Their Analogues against Pine Wood Nematode, Bursaphelenchus xylophilus

  摘要：

  In this study, we evaluated the nematicidal activity of natural ester compounds against the pine wood nematode, Bursaphelenchus xylophilus, to identify candidates for the development of novel, safe nematicides. We also tested the nematicidal activity of synthesized analogues of these ester compounds to determine the structure-activity relationship. Among 28 ester compounds tested, isobutyl 2-methylbutanoate, 3-methylbutyl 2-methylbutanoate, 3-methylbutyl tiglate, 3-methyl-2-butenyl 2-methylbutanoate, and pentyl 2-methylbutanoate showed strong nematicidal activity against the pine wood nematode at a 1 mg/mL concentration. The other ester compounds showed weak nematicidal activity. The LC50 values of 3-methylbutyl tiglate, isobutyl 2-methylbutanoate, 3-methylbutyl 2-methylbutanoate, 3-methyl-2-butenyl 2-methylbutanoate, and pentyl 2-methylbutanoate were 0.0218, 0.0284, 0.0326, 0.0402, and 0.0480 mg/mL, respectively. The ester compounds described herein merit further study as potential nematicides for pine wood nematode control.

  DOI：

  10.1021/jf503631e

文献信息

• [EN] PROCESSES FOR PRODUCING CARBOXYLIC ACIDS<br/>[FR] PROCÉDÉS DE PRODUCTION D'ACIDES CARBOXYLIQUES
  申请人：EASTMAN CHEM CO

  公开号：WO2020205348A1

  公开（公告）日：2020-10-08

  Processes are disclosed for preparing carboxylic acids from organic esters, the processes comprising contacting an ester with water in the presence of an acid catalyst and a homogenizing solvent at conditions effective to form a carboxylic acid. The homogenizing solvent is present in an amount sufficient to form a single-phase reaction mixture comprising the ester, water, and homogenizing solvent. The homogenizing solvent may be selected from acetonitrile, dimethyl sulfoxide, and 1,4-dioxane.

  公开了从有机酯制备羧酸的过程，该过程包括在酸催化剂和均相溶剂存在下将酯与水接触，以形成羧酸的有效条件。均相溶剂以足够量存在，以形成包括酯、水和均相溶剂的单相反应混合物。均相溶剂可以选择自乙腈、二甲基亚砜和1,4-二氧六环。
• Compositions related to a novel endophytic fungi and methods of use
  申请人：——

  公开号：US20040141955A1

  公开（公告）日：2004-07-22

  This invention provides pesticidally effective compositions related to a novel endophytic fungi named Muscodor. Specifically, the invention relates to commercially useful formulations of Muscodor and methods for preparing such formulations. It also provides various synthetic pesticidal mixtures of volatile organic compounds isolatable from Muscodor grown on various substrates. Also provided are methods for inhibiting the growth of organisms, such as microbes, insects, and nematodes by exposing such organisms or the habitats thereof to the above Muscodor-related compositions.

  这项发明提供了与一种名为Muscodor的新型内生真菌相关的具有杀虫效果的组合物。具体来说，该发明涉及Muscodor的商业上有用的配方以及制备这种配方的方法。它还提供了从在各种基质上生长的Muscodor中分离出的各种合成杀虫混合物的挥发性有机化合物。还提供了通过将这些生物或其栖息地暴露给上述与Muscodor相关的组合物来抑制生物的生长的方法，例如微生物、昆虫和线虫。
• NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO
  申请人：DYCK Brian

  公开号：US20110166116A1

  公开（公告）日：2011-07-07

  New compounds are disclosed which have utility in the treatment of a variety of metabolic related conditions in a patient. The compounds of this invention have the structure (I): wherein R 1 , R 2 , R 3 , n, p, q, and Ar are as defined herein, including stereoisomers, and pharmaceutically acceptable salts thereof. Also disclosed are pharmaceutical compositions comprising a compound of this invention, as well as methods relating to the use thereof in a patient in need thereof.

  本发明披露了一种新化合物，其在治疗患者的各种代谢相关疾病方面具有用途。本发明的化合物具有结构（I）：其中R1、R2、R3、n、p、q和Ar的定义如本文所述，包括立体异构体和药物可接受的盐。本发明还披露了包括本发明化合物的制药组合物，以及与在需要时使用该化合物的相关方法。
• Topcoat compositions and pattern-forming methods
  申请人：Rohm and Haas Electronic Materials LLC

  公开号：US10042259B2

  公开（公告）日：2018-08-07

  Topcoat compositions comprise: a matrix polymer; a surface active polymer comprising a polymerized unit formed from a monomer of the following general formula (I): wherein: R1 represents H, F, methyl or fluorinated methyl; R2 represents optionally substituted C1 to C8 alkylene or optionally substituted C1 to C8 fluoroalkylene, optionally comprising one or more heteroatom; R3 represents H, F, optionally substituted C1 to C10 alkyl or optionally substituted C5 to C15 aryl, optionally comprising one or more heteroatom; R4 represents optionally substituted C1 to C8 alkyl, optionally substituted C1 to C8 fluoroalkyl or optionally substituted C5 to C15 aryl, optionally comprising one or more heteroatom; X represents O, S or NR5, wherein R5 is chosen from hydrogen and optionally substituted C1 to C5 alkyl; and a is 0 or 1; and a solvent. Also provided are coated substrates and pattern-forming methods which make use of the topcoat compositions. The invention has particular applicability in photolithographic processes as a photoresist topcoat layer in the manufacture of semiconductor devices.

  面漆组合物包括：基质聚合物；表面活性聚合物，该聚合物由以下通式 (I) 的单体聚合而成： 其中R1 代表 H、F、甲基或氟化甲基； R2 代表任选取代的 C1 至 C8 亚烷基或任选取代的 C1 至 C8 氟亚烷基，任选包含一个或多个杂原子； R3 代表 H、F、任选取代的 C1 至 C10 烷基或任选取代的 C5 至 C15 芳基，任选包含一个或多个杂原子；R4 代表任选取代的 C1 至 C8 烷基、任选取代的 C1 至 C8 氟烷基或任选取代的 C5 至 C15 芳基，任选包含一个或多个杂原子；X 代表 O、S 或 NR5，其中 R5 选自氢和任选取代的 C1 至 C5 烷基；a 为 0 或 1；以及溶剂。本发明还提供了涂层基底和图案形成方法，这些基底和方法都使用了本发明的面漆组合物。本发明特别适用于光刻工艺，作为制造半导体器件的光刻胶面涂层。
• Topcoat compositions containing fluorinated thermal acid generators
  申请人：Rohm and Haas Electronic Materials LLC

  公开号：US10241411B2

  公开（公告）日：2019-03-26

  Provided are topcoat compositions that include: a matrix polymer; a surface active polymer; an ionic thermal acid generator comprising an anion and a cation, wherein the anion, the cation, or the anion and the cation are fluorinated; and a solvent. Also provided are coated substrates and pattern-forming methods which make use of the topcoat compositions. The invention has particular applicability in photolithographic processes as a photoresist topcoat layer in the manufacture of semiconductor devices.

  所提供的面漆组合物包括：基质聚合物；表面活性聚合物；由阴离子和阳离子组成的离子热酸发生体，其中阴离子、阳离子或阴离子和阳离子均为氟化；以及溶剂。此外，本发明还提供了涂层基底和图案形成方法，这些基底和方法都使用了本发明的面漆组合物。本发明特别适用于光刻工艺，可用作制造半导体器件的光刻胶面涂层。

表征谱图