2-hydroxypentyl propanoate | 138833-35-9

• 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
• 英文名称: 2-hydroxypentyl propanoate
• CAS: 138833-35-9
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: MNCOVQNMTJSJCM-UHFFFAOYSA-N

物化性质

• 沸点：
  246.6±13.0 °C(Predicted)
• 密度：
  0.989±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 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：

  1,2-戊二醇 、 丙酸甲酯 反应 4.0h， 生成 2-hydroxypentyl propanoate
  参考文献：
  名称：

  PPL-catalyzed resolution of 1,2- and 1,3-diols in methyl propionate as solvent. An application of the tandem use of enzymes.

  摘要：

  The Porcine Pancreatic Lipase (PPL)-catalyzed transesterification of 1-phenyl-1,2-ethanediol 1, 2-phenyl-1,2-propanediol 2, 1,2-decanediol 3, 1,2-pentanediol 4, 1,2-butanediol 5, 1,2-propanediol 6 and 1,3-butanediol 7 in methyl propionate as solvent was evaluated. In all substrates, the primary hydroxy group is esterified exclusively. The enantioselectivity displayed in this PPL-catalyzed reaction is moderate. The enantiomeric excess of diol (-)-1 is enhanced by subjecting propionate (-)-8, with a moderate ee (obtained by a PPL-catalyzed esterification of racemic 1 in methyl propionate), to an enzyme-catalyzed hydrolysis (tandem principle).

  DOI：

  10.1016/s0040-4020(01)89742-8

文献信息

• [EN] COMPOSITION COMPRISING AN AGROCHEMICALLY ACTIVE COMPOUND AND AN ALKOXYLATE<br/>[FR] COMPOSITION COMPRENANT UN COMPOSÉ ACTIF SUR LE PLAN AGROCHIMIQUE ET UN ALCOXYLATE
  申请人：BASF SE

  公开号：WO2019011825A1

  公开（公告）日：2019-01-17

  A liquid composition comprising at least component (a): at least one agrochemically active compound, and component (b): at least one alkoxylate of the formula (I) wherein, R1 and R2 are independently selected from H, linear or branched C1-C8 alkyl, linear or branched C10 alkyl, phenyl, C1-C4 alkylcarbonyl, phenylcarbonyl, C1-C4 alkylphenylcarbonyl, and pyridylcarbonyl, wherein R1 and R2 are not H at the same time R3, R4, R5, R6 and R7 are independently selected from H, linear or branched C1-C10 alkyl, and phenyl and wherein n, o, p, q and r are each independently in the range of 0-8 referring to average values, wherein n+o+ p+q + r is at least 1, preferably wherein a solution and/or mixture of 5 g component (b) in 1000 g water has a dynamic surface tension of > 45 mN/m at 20°C and 101.3 kPa, and optionally component (c): at least one compound selected from the group of organic solvents.
• PPL-catalyzed resolution of 1,2- and 1,3-diols in methyl propionate as solvent. An application of the tandem use of enzymes.
  作者：A.J.M. Janssen、Aj.h. Klunder、B. Zwanenburg

  DOI：10.1016/s0040-4020(01)89742-8

  日期：1991.8

  The Porcine Pancreatic Lipase (PPL)-catalyzed transesterification of 1-phenyl-1,2-ethanediol 1, 2-phenyl-1,2-propanediol 2, 1,2-decanediol 3, 1,2-pentanediol 4, 1,2-butanediol 5, 1,2-propanediol 6 and 1,3-butanediol 7 in methyl propionate as solvent was evaluated. In all substrates, the primary hydroxy group is esterified exclusively. The enantioselectivity displayed in this PPL-catalyzed reaction is moderate. The enantiomeric excess of diol (-)-1 is enhanced by subjecting propionate (-)-8, with a moderate ee (obtained by a PPL-catalyzed esterification of racemic 1 in methyl propionate), to an enzyme-catalyzed hydrolysis (tandem principle).