异丁酸戊酯 | 2445-72-9

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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: 异丁酸戊酯
• 英文名称: propanoic acid, 2-methyl-, pentyl ester
• 英文别名: pentyl isobutanoate；pentyl isobutyrate；amyl isobutyrate；Isobuttersaeure-amylester；Amylisobutyrat；pentyl 2-methylpropanoate
• CAS: 2445-72-9
• 化学式: C₉H₁₈O₂
• mdl: MFCD00048844
• 分子量: 158.241
• InChiKey: UYGGIIOLYXRSQY-UHFFFAOYSA-N

物化性质

• 熔点：
  -73°C (estimate)
• 沸点：
  183.34°C (estimate)
• 密度：
  0.8809 (estimate)
• 闪点：
  58℃ (tag closed test)
• LogP：
  3.177 (est)
• 保留指数：
  1033;1038;1038.1;999;1039;1040;1030;1024;1024;1034;1032;1032;1024;1012;1035;1009;1035

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090

反应信息

• 作为产物：
  描述：

  戊醇 、 异丁酸 在 Rhizomucor miehei lipase 作用下， 以 正庚烷 为溶剂， 反应 24.0h， 以95.7%的产率得到异丁酸戊酯
  参考文献：
  名称：

  Divakar, Soundar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 9, p. 1919 - 1922

  摘要：

  DOI：

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。
• [EN] AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS<br/>[FR] AZABENZIMIDAZOLES EN TANT QU'AGENTS ANTIVIRAUX CONTRE LE VIRUS RESPIRATOIRE SYNCYTIAL
  申请人：JANSSEN R & D IRELAND

  公开号：WO2012080449A1

  公开（公告）日：2012-06-21

  A compound satisfying formula I, a prodrug, N-oxide, addition salt, quaternary metal complex, or a stereochemically isomeric form thereof; (formula I) compositions contain these compounds as active ingredient and processes for preparing these compounds and compositions.

  一种满足以下公式I的化合物，包括前药、N-氧化物、加合盐、季铵金属配合物或其立体化学异构体形式；（公式I）组合物中包含这些化合物作为活性成分，以及制备这些化合物和组合物的方法。
• USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150305334A1

  公开（公告）日：2015-10-29

  The invention relates to the use of substituted 1-(arylethynyl)-, 1-(heteroarylethynyl)-, 1-(heterocyclylethynyl)- and 1-(cycloalkenylethynyl)cyclohexanols or salts thereof where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress and/or for increasing plant yield.

  本发明涉及使用取代的1-(芳基乙炔基)-、1-(杂芳基乙炔基)-、1-(杂环基乙炔基)-和1-(环烯基乙炔基)环己醇或其盐，其中通式(I)中的基团与描述中给定的定义相对应，用于增强植物对非生物胁迫的耐受性和/或增加植物产量。
• USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150315146A1

  公开（公告）日：2015-11-05

  The invention relates to the use of substituted 1-(arylethynyl)-, 1-(heteroarylethynyl)-, 1-(heterocyclylethynyl)- and 1-(cycloalkenylethynyl)bicycloalkanols or salts thereof where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress and/or for increasing plant yield.

  该发明涉及使用取代的1-(芳基乙炔基)-、1-(杂芳基乙炔基)-、1-(杂环基乙炔基)-和1-(环烯基乙炔基)双环戊醇或其盐，其中一般式(I)中的基团对应于描述中给定的定义，用于增强植物对非生物胁迫的耐受性和/或增加植物产量。
• [EN] PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ALCOXYLATES D'ALCOOLS SECONDAIRES ACYLÉS ET ALCOXYLATES D'ALCOOLS SECONDAIRES
  申请人：SHELL INT RESEARCH

  公开号：WO2010049465A1

  公开（公告）日：2010-05-06

  A process for the preparation of acylated secondary alcohol alkoxylates, said process comprising : (i) reaction of one or more internal olefins with one or more carboxylic acids in the presence of a catalyst composition in order to form one or more carboxylic acid esters; (ii) reaction of one or more carboxylic acid esters from step (i) with one or more alkylene oxide reactants, in the presence of a catalytically effective amount of a catalyst composition comprising: (a) one or more alkaline earth metal salts of carboxylic and/or hydroxycarboxylic acids and/or hydrates of the former; (b) an oxy-acid selected from sulphuric acid and ortho-phosphoric acid; (c) an alcohol and/or an ester; and/or products of the reciprocal reactions of (a), (b) and/or (c) in order to form one or more acylated secondary alcohol alkoxylates; and optionally (iii) hydrolysis or transesterification of one or more acylated secondary alcohol alkoxylates from step (ii) in order to form one or more secondary alcohol alkoxylates; and a process for making secondary alcohol alkoxy sulphates comprising the steps of: preparing secondary alcohol alkoxylates by the afore-mentioned process; and sulphating the secondary alcohol alkoxylates.

  一种制备酰化二次醇烷氧基化物的方法，该方法包括：（i）在催化剂组成物的存在下，将一种或多种内部烯烃与一种或多种羧酸反应，以形成一种或多种羧酸酯；（ii）在催化剂组成物的存在下，将步骤（i）中的一种或多种羧酸酯与一种或多种烷基氧化物反应，其中催化剂组成物包括：（a）一种或多种碱土金属羧酸和/或羟基羧酸盐和/或其水合物；（b）从硫酸和正磷酸中选择的氧酸；（c）一种醇和/或一种酯和/或（a），（b）和/或（c）的互反作用产物，以形成一种或多种酰化二次醇烷氧基化物；可选地（iii）水解或酯交换步骤，以形成一种或多种二次醇烷氧基化物。制备二次醇烷氧基硫酸盐的方法包括以下步骤：通过上述方法制备二次醇烷氧基化物；并对二次醇烷氧基化物进行硫酸化。

表征谱图