2-Hydroxybutyl butyrate | 129526-66-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-Hydroxybutyl butyrate
• 英文别名: 2-Hydroxybutyl butanoate
• CAS: 129526-66-5
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: OPURBFGNOBCEAF-UHFFFAOYSA-N

物化性质

• 沸点：
  246.6±13.0 °C(predicted)
• 密度：
  0.989±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  正丁酸2,2,2-三氟乙酯 、 1,2-丁二醇 以 丙酮 为溶剂， 以70%的产率得到2-Hydroxybutyl butyrate
  参考文献：
  名称：

  在有机溶剂中二醇和三醇与脂肪酶的区域选择性酯化

  摘要：

  来自猪胰腺（PPL）和Candida cylindracea（CCL）的脂肪酶在不同的有机溶剂中可以区分伯羟基和仲羟基，也可以区分两个伯羟基之间的二醇和三醇中的2,2,2-三氟乙基丁酸酯的酰化。高区域选择性。

  DOI：

  10.1016/s0040-4020(01)89922-1

文献信息

• Efficient and Regioselective Ring-opening of Epoxides with Carboxylic Acid Catalyzed by Graphite Oxide
  作者：Maryam Mirza-Aghayan、Mahdieh Molaee Tavana、Elaheh Golam Alipour Niazi、Rabah Boukherroub

  DOI：10.2174/1570178616666190401194252

  日期：2020.7.7

  regioselective ring-opening reaction of epoxides with various carboxylic acids under metal-free conditions is reported. The ring-opening of epoxides takes place in the presence of graphite oxide as an efficient and available catalyst to produce the corresponding 2-hydroxy monoester and 1,2-diester derivatives in good yields. Regioselective attack of the nucleophile, short reaction times, metal-free conditions

  据报道，在无金属条件下，环氧化物与各种羧酸的有效，简单和区域选择性的开环反应。环氧化物的开环发生在作为有效和可用催化剂的氧化石墨存在下，以高收率生产相应的2-羟基单酯和1,2-二酯衍生物。亲核试剂的区域选择性攻击，较短的反应时间，无金属条件和催化剂的可重复使用性是本方案的优点。
• Porcine pancreatic lipase mediated selective acylation of primary alcohols in organic solvents
  作者：Sowmianarayanan Ramaswamy、Brian Morgan、Allan.C. Oehlschlager

  DOI：10.1016/s0040-4039(00)97408-2

  日期：1990.1

  Porcine pancreatic lipase mediated acylation of 1,n-diols and triols affords primary acylated products in high yields.

  猪胰脂肪酶介导的1，n-二醇和三醇的酰化作用可提供高收率的初级酰化产物。
• Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators
  申请人：HITACHI, LTD.

  公开号：EP0322862A2

  公开（公告）日：1989-07-05

  The invention relates to optically active compounds represented by the general formula I wherein n, R1, R2, R3, R4., Q1, Q2, Q3, and M are defined as in the specification, methods and intermediates for their preparation, liquid crystal compositions comprising at least one optically active compound of formula I and their use in electrooptical display, switching and modulation devices.

  本发明涉及通式 I 所代表的光学活性化合物，其中 n、R1、R2、R3、R4. 其中 n、R1、R2、R3、R4.、Q1、Q2、Q3 和 M 的定义如说明书中所述，还涉及制备它们的方法和中间体、包含至少一种式 I 的光学活性化合物的液晶组合物以及它们在光电显示、开关和调制装置中的用途。
• Process for optical resolution of 1,2-diol derivatives
  申请人：KUREHA KAGAKU KOGYO KABUSHIKI KAISHA

  公开号：EP0655504A2

  公开（公告）日：1995-05-31

  This invention provides a process for producing an optically active 1,2-diol derivative by optical resolution. The optically active 1,2-diol derivative of the formula (I) which is capable of utilizing as an intermediate of fungicidal optically-active azole derivatives can be produced by esterifying a 1,2-diol derivative of the formula (I) as a substrate with a carboxylic acid derivative of the formula (II) as a reagent in the presence of a lipase as a catalyst. wherein R1 is C1 - C5 alkyl group, C3 - C7 cycloalkyl group or C1 - C5 haloalkyl group, R2 is C1 - C3 alkyl group substituted by a phenyl group which may have one or two halogen atoms and/or C1 - C4 alkyl groups, C2 - C3 alkenyl group substituted by a phenyl group which may have one or two halogen atoms and/or C1 - C4 alkyl groups, or C1 - C3 alkyl group substituted by a phenoxy group which may have one or two halogen atoms and/or C1 - C4 alkyl groups, R3 is C1 - C10 alkyl group or aryl group, and R4 is hydrogen atom, C1 - C5 alkyl group, C2 - C4 alkenyl group or COR3.

  本发明提供了一种通过光学解析法生产具有光学活性的 1,2-二醇衍生物的工艺。以式（I）的 1，2-二醇衍生物为底物，以式（II）的羧酸衍生物为试剂，在脂肪酶作为催化剂的存在下进行酯化反应，就可以生产出具有光学活性的式(I)的 1，2-二醇衍生物，该衍生物可用作杀真菌光学活性唑衍生物的中间体。 其中 R1 为 C1 - C5 烷基、C3 - C7 环烷基或 C1 - C5 卤代烷基，R2 为被苯基取代的 C1 - C3 烷基，该苯基可含有一个或两个卤素原子和/或 C1 - C4 烷基，被苯基取代的 C2 - C3 烯基，该苯基可含有一个或两个卤素原子和/或 C1 - C4 烷基、或 R3 为 C1 - C10 烷基或芳基，R4 为氢原子、C1 - C5 烷基、C2 - C4 烯基或 COR3。
• RAMASWAMY, SOWMIANARAYANAN;MORGAN, BRIAN;OEHLSCHLAGER, ALLAN C., TETRAHEDRON LETT., 31,(1990) N4, C. 3405-3408
  作者：RAMASWAMY, SOWMIANARAYANAN、MORGAN, BRIAN、OEHLSCHLAGER, ALLAN C.

  DOI：——

  日期：——