环戊基丁酸酯 | 6290-13-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 环戊基丁酸酯
• 英文名称: cyclopentyl butyrate
• 英文别名: cyclopentyl butanoate
• CAS: 6290-13-7
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: OZORRWASBYZFPY-UHFFFAOYSA-N

物化性质

• LogP：
  2.740 (est)
• 保留指数：
  1387

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• 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

反应信息

• 作为产物：
  描述：

  正丁酸乙烯酯 、 环戊醇 在 polyvinyl alcohol : chitosan : lipase (Pseudomonas cepacia) 5:5:2.5 作用下， 反应 5.0h， 生成 环戊基丁酸酯
  参考文献：
  名称：

  The combine use of ultrasound and lipase immobilized on co-polymer matrix for efficient biocatalytic application studies

  摘要：

  In this work, we have investigated the combine use of ultrasound and lipase (Pseudomonas cepacia: PCL) immobilized on co-polymer of polyvinyl alcohol (PVA) and chitosan (CHI) for biocatalytic applications. Initially, we have screened different free and immobilized biocatalysts to find-out the robust biocatalyst. The immobilized biocatalyst PVA:CHI:PCL (5:5:2.5) worked as a robust biocatalyst to provide superior conversion (99%) for the synthesis of model ultrasound assisted reaction. Subsequently, various reaction parameters were optimized in details to obtain the higher yield. Besides this, developed biocatalytic protocol was used to synthesize various industrially important butyrate compounds which provided excellent conversion of 99% under ultrasonic conditions. The developed biocatalyst showed excellent recyclability upto studied five cycles under ultrasonic condition. The immobilized PVA:CHI:PCL biocatalyst displayed 2.4 folds higher activity as compared to free lipases in ultrasonic condition. Moreover, PVA:CHI:PCL biocatalyst in ultrasound media showed 4.5 folds higher activity as compared to free lipases in conventional media. The energy assessment was performed which demonstrated feasibility of combine use of immobilization and ultrasonication to carry out efficient biocatalytic process. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2015.09.012

文献信息

• Consecutive addition esterification and hydrolysis of cyclic olefins catalyzed by multi-SO₃H functionalized multi heteropolyanion-based ionic hybrids undersolvent-free conditions
  作者：Guocai Zheng、Xinzhong Li

  DOI：10.1080/00397911.2019.1580743

  日期：2019.4.3

  for the synthesis of cycloalkyl carboxylates and alcohols from cyclic olefins is described. The cyclic olefins were converted to corresponding target molecules under solvent-free conditions catalyzed by two novel multi-SO3H functionalized multi heteropolyanion-based ionic hybrids through one-pot consecutive addition esterification and hydrolysis reactions. This approach has several advantages, including

  摘要 描述了从环烯烃合成环烷基羧酸盐和醇的有效方案。环烯烃在无溶剂条件下通过一锅连续加成酯化和水解反应由两种新型多 SO3H 官能化多杂多阴离子基离子杂化物催化转化为相应的目标分子。这种方法有几个优点，包括高产率、简单的后处理和简单的纯化。图形概要
• Ruthenium Pincer-Catalyzed Acylation of Alcohols Using Esters with Liberation of Hydrogen under Neutral Conditions
  作者：Boopathy Gnanaprakasam、Yehoshoa Ben-David、David Milstein

  DOI：10.1002/adsc.201000663

  日期：2010.12.17

  Acylation of secondary alcohols using non-activated esters, in particular symmetrical esters (such as ethyl acetate), is achieved under neutral conditions with the liberation of molecular hydrogen. This unprecedented, environmentally benign reaction is homogenously catalyzed by a dearomatized ruthenium pincer PNN complex.

  在中性条件下，伴随分子氢的释放，使用未活化的酯，特别是对称酯（例如乙酸乙酯），将仲醇酰化。这种空前的，对环境无害的反应是由脱芳构的钌夹PNN络合物均匀催化的。
• TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS
  申请人：Goossens Thomas Peter Anne

  公开号：US20130090492A1

  公开（公告）日：2013-04-11

  This invention is directed to a general catalyst of high activity and selectivity for the production of a variety of esters, particularly acrylate and methacrylate-based esters, by a transesterification reaction. This objective is achieved by reaction of an ester of a carboxylic or a carbonic acid, in particular of a saturated or unsaturated, typically, a 3 to 4 carbon atom carboxylic acid; with an alcohol in the presence of a catalyst comprising the combination of a metal 1,3-dicarbonyl complex (pref. Zn or Fe acetylacetonate) and a salt, in particular an inorganic salt, pref. ZnCl2, LiCI, NaCI, NH4CI or Lil. These catalysts are prepared from readily available starting materials within the reaction medium without the need for isolation (in-situ preparation).

  这项发明针对一种高活性和选择性的通用催化剂，用于通过酯交换反应生产各种酯类，特别是丙烯酸酯和甲基丙烯酸酯。该目标通过在存在催化剂的情况下，将羧酸酯或碳酸酯的酯，特别是饱和或不饱和的、通常为3到4个碳原子的羧酸酯；与醇反应来实现。催化剂包括金属1,3-二羰基配合物（首选Zn或Fe乙酰丙酮酸盐）和盐的组合，特别是无机盐，首选ZnCl2，LiCl，NaCl，NH4Cl或I2。这些催化剂是在反应介质中从易得的起始物质制备而成，无需分离（原位制备）。
• [EN] NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST<br/>[FR] NOUVEAUX DERIVES DE PYRAZOLE UTILISES COMME ANTAGONISTES DE L'ANGIOTENSINE II
  申请人：J. URIACH & CIA, S.A.

  公开号：WO1996004273A1

  公开（公告）日：1996-02-15

  (EN) Compounds of general formula (I) and their salts and solvates are angiotensin II receptor antagonists and as such are useful in the treatment of hypertension, congestive heat failure and elevated intraocular pressure. Pharmaceutical compositions including these compounds and processes for their preparation are also provided.(FR) Les composés de formule générale (I) (ainsi que leurs sels et solvates) sont des antagonistes du récepteur de l'angiotensine II et à ce titre sont utiles dans le traitement de l'hypertension, de l'insuffisance cardiaque congestive et de l'hypertension intra-oculaire. Des compositions pharmaceutiques renfermant ces composés et des procédés pour leur préparation sont également décrits.

  (中文) 通式 (I) 及其盐和溶剂化合物是血管紧张素 II 受体拮抗剂，因此在治疗高血压、充血性心力衰竭和眼内压升高方面非常有用。还提供了包括这些化合物的药物组合物和其制备方法。
• USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES
  申请人：Milstein David

  公开号：US20120253042A1

  公开（公告）日：2012-10-04

  A process for preparing amides by reacting a primary amine and a primary alcohol in the presence of a Ruthenium complex to generate the amide and molecular hydrogen. Primary amines are directly acylated by equimolar amounts of alcohols to produce amides and molecular hydrogen (the only byproduct) in high yields and high turnover numbers. Also disclosed are processes for hydrogenation of amides to alcohols and amines; hydrogenation of organic carbonates to alcohols; hydrogenation of carbamates or urea derivatives to alcohols and amines; amidation of esters; acylation of alcohols using esters; coupling of alcohols with water and a base to form carboxylic acids; dehydrogenation of beta-amino alcohols to form pyrazines and cyclic dipeptides; and dehydrogenation of secondary alcohols to ketones. These reactions are catalyzed by a Ruthenium complex which is based on a dearomatized PNN-type ligand of formula A1 or precursors thereof of formulae A2 or A3.

  一种制备酰胺的方法，包括在Ruthenium配合物的存在下，通过反应一种一级胺和一种一级醇生成酰胺和分子氢。直接用等摩尔量的醇对一级胺进行酰化反应，可以高产率、高周转数地生成酰胺和分子氢（唯一的副产物）。此外，还揭示了将酰胺氢化为醇和胺的方法；将有机碳酸酯氢化为醇的方法；将氨基甲酸酯或尿素衍生物氢化为醇和胺的方法；酯的酰胺化反应；使用酯对醇进行酰化反应；将醇与水和碱偶联形成羧酸；将β-氨基醇脱氢生成吡嗪和环肽；以及将二级醇脱氢生成酮的方法。这些反应由基于A1式或A2式或A3式的去芳香的PNN型配体的Ruthenium配合物催化。