2-丙酸戊醇酯 | 54004-43-2

• 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: 2-丙酸戊醇酯
• 英文名称: 1-methylbutyl propanoate
• 英文别名: pentyl-2-yl propionate；2-pentyl propionate；sec-amyl propionate；propionic acid sec-pentyl ester；Propionsaeure-sec-pentylester；2-pentanol, propanoate；1-Methylbutyl propionate；pentan-2-yl propanoate
• CAS: 54004-43-2
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: IPVKBEOJURLVER-UHFFFAOYSA-N

物化性质

• 熔点：
  -70.1°C (estimate)
• 沸点：
  162.84°C (estimate)
• 密度：
  0.8836 (estimate)
• LogP：
  2.650 (est)
• 保留指数：
  908;916;926;928;932;927

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915509000

反应信息

• 作为产物：
  描述：

  2-戊酮 在 4-二甲氨基吡啶 、 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.17h， 生成 2-丙酸戊醇酯
  参考文献：
  名称：

  Enzymatic kinetic resolution of aliphatic sec -alcohols by LipG9, a metagenomic lipase

  摘要：

  Bioprospection for new enantioselective enzymes for application in organic synthesis is a prominent area of investigation in biocatalysis. In this context, here we present the evaluation of an immobilized lipase isolated from a metagenomic library (LipG9) for the enzymatic kinetic resolution (EKR) of aliphatic sec -alcohols, which are still challenging substrates, since low enantioselectivity values are usually observed for these resolutions. LipG9 was successfully employed in EKR of aliphatic alcohols, which were resolved with satisfactory conversions (19-59%) and enantiomeric excesses for alcohols (26-88%) and esters (30-96%) by transesterification reactions, demonstrating that its performance is equal to or better than commercially available enzymes for the same reaction. (C) 2016 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2015.12.010

文献信息

• [EN] USE OF A NEW CLASS OF NUCLEOTIDE SUGAR AS ANTIBIOTIC OR CYTOSTATIC AGENT<br/>[FR] UTILISATION D'UNE NOUVELLE CATÉGORIE DE SUCRE DE NUCLÉOTIDE EN TANT QU'ANTIBIOTIQUE OU AGENT CYTOSTATIQUE
  申请人：MAX PLANCK GESELLSCHAFT

  公开号：WO2012038097A1

  公开（公告）日：2012-03-29

  The present invention relates to the use of a compound of the formula (A), its use in medicine and for the prophylaxis and/or treatment of infectious diseases. Also disclosed are pharmaceutical formulations containing at least one of the inventive compounds. The compounds are especially useful for prophylaxis and/or treatment of bacterial infection. Further part of the invention is a method for producing the compounds of the formula (A)

  本发明涉及一种公式（A）的化合物的使用，其在医学上的应用以及用于预防 和/或治疗传染性疾病。还公开了包含至少一种本发明的化合物的药物制剂。这些化合物特别适用于预防 和/或治疗细菌感染。发明的另一部分是一种生产公式（A）化合物的方法
• An extremely efficient and green method for the acylation of secondary alcohols, phenols and naphthols with a deep eutectic solvent as the catalyst
  作者：Hai Truong Nguyen、Phuong Hoang Tran

  DOI：10.1039/c6ra22757k

  日期：——

  The typical deep eutectic solvent [CholineCl][ZnCl2]3 easily prepared from choline chloride and zinc chloride is green and useful for the acylation of secondary alcohols, phenols, and naphthols with acid anhydrides....

  由氯化胆碱和氯化锌容易制备的典型深共熔溶剂[CholineCl] [ZnCl2] 3是绿色的，可用于用酸酐对仲醇，酚和萘进行酰化反应。
• Thermoplastic resin composition
  申请人：JAPAN SYNTHETIC RUBBER CO., LTD.

  公开号：EP0409291A2

  公开（公告）日：1991-01-23

  A thermoplastic resin composition consisting essentially of (A) 5 to 99% by weight of a hydrogenated polymer which is a hydrogenation product of a polymer represented by general formula (I): or a mixture of the norbornene derivative and a monomer copolymerizable therewith to ring-opening polymerization and (B) 95 to 1% by weight of at least one member selected from the group consisting of (B-1) a rubbery polymer and (B-2) a thermoplastic resin. The thermoplastic resin composition has excellent impact resistance and ductility.

  一种热塑性树脂组合物，其主要成分为：(A) 5-99%（按重量计）的氢化聚合物，它是通式(I)所代表的聚合物的氢化产物： 或降冰片烯衍生物与可与之开环聚合的单体的混合物，以及 (B) 95-1%（按重量计）的至少一种选自(B-1)橡胶聚合物和(B-2)热塑性树脂的成员。热塑性树脂组合物具有优异的抗冲击性和延展性。
• Erasable image forming material
  申请人：KABUSHIKI KAISHA TOSHIBA

  公开号：EP0980028A1

  公开（公告）日：2000-02-16

  An erasable image forming material includes a color former, a developer, a binder resin, and a polymer decolorizer having an electron donating group capable of physically or chemically adsorbing the developer. This polymer decolorizer is, e.g., a polymer compound having a sugar skeleton, representatively starch. This image forming material can form sharp images and erase images by heat or a solvent to achieve a good erased state.

  一种可擦除图像形成材料包括显色剂、粘合剂树脂和聚合物脱色剂，聚合物脱色剂具有电子捐赠基团，能以物理或化学方式吸附显色剂。聚合物脱色剂可以是具有糖骨架的聚合物化合物，例如淀粉。这种图像形成材料可以形成清晰的图像，并通过加热或溶剂擦除图像，以达到良好的擦除状态。
• Decolorable image forming material and decoloring method of the same
  申请人：Kabushiki Kaisha Toshiba

  公开号：EP1041447A1

  公开（公告）日：2000-10-04

  A decolorable image forming material containing a color former, a developer and a binder resin, in which the binder resin has a property that it is compatible with the color former when the material is in contact with a solvent and that it keeps the compatible state when the solvent is removed, or has a property that it shifts an equilibrium between the color former and the developer to a non-developed side when the temperature of the material is raised and that it keeps the state shifted to the non-developed side when the temperature of the material is lowered.

  一种含有显色剂、显影剂和粘合剂树脂的可脱色图像形成材料，其中粘合剂树脂具有以下特性：当材料与溶剂接触时，粘合剂树脂与显色剂相容；当溶剂移除时，粘合剂树脂保持相容状态；或者具有以下特性：当材料温度升高时，粘合剂树脂将显色剂与显影剂之间的平衡状态转移到非显影侧；当材料温度降低时，粘合剂树脂保持转移到非显影侧的状态。

表征谱图