r-2-Octyl hexanoate | 117636-57-4

• 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: r-2-Octyl hexanoate
• 英文别名: [(2R)-octan-2-yl] hexanoate
• CAS: 117636-57-4
• 化学式: C₁₄H₂₈O₂
• 分子量: 228.375
• InChiKey: NHLFXASSHRKDPB-CYBMUJFWSA-N

物化性质

• 沸点：
  265.4±8.0 °C(Predicted)
• 密度：
  0.866±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 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：

  L-2-辛醇 、 己酸 在 cutinase (E_.C_. 3.1.1.74) 作用下， 反应 168.0h， 生成 r-2-Octyl hexanoate
  参考文献：
  名称：

  Effects of different solid state fermentation substrate on biochemical properties of cutinase from Fusarium sp.

  摘要：

  The present results demonstrate that the catalytic characteristics of cutinase produced by the same strain differ depending on the culture medium used. This conclusion was possible after the study of biochemical characterization and enantioselective properties of cutinases produced by Fusarium oxysporum in four different culture mediums. The mediums were composed of wheat bran, soybean rind, rice bran and Jatropha curcas seed cake, different Brazilian agricultural by-products. The largest difference can be observed on cutinase produced by J. curcas seed cake. This enzyme has been activated in most metal ions tested and exhibited excellent stability in organic solvent, especially hexane. The cutinase produced in rice bran showed greatest activity in the presence of p-nitrophenyl butyrate as a substrate, whereas the other enzymes showed greatest activity in the presence of p-nitrophenyl caprilate. Regarding enantioselective properties the cutinase produced in soybean rind showed the best result compared to enzymes produced in wheat bran. (C) 2011 Elsevier By. All rights reserved.

  DOI：

  10.1016/j.molcatb.2011.06.003

文献信息

• A method for producing an optically active 2-alkanol
  申请人：CHISSO CORPORATION

  公开号：EP0908522A1

  公开（公告）日：1999-04-14

  Both enantiomers of optically active 2-alkanol are produced by transesterification reaction of racemic 2-alkanol and aliphatic acid 2,2,2-trichloroethylesler in the presence of enzyme derived from Candida antarctica. Both enantiomers of optically active 2-alkanol, which are useful as starting materials of liquid crystal materials and have optical purity of 99% or more, can be efficiently produced.

  外消旋 2-烷醇与脂肪族酸 2,2,2- 三氯乙烷在白色念珠菌酶的作用下发生酯交换反应，生成了具有光学活性的 2-烷醇的两种对映体。 光学活性 2-烷醇的两种对映体均可高效制得，这两种对映体可用作液晶材料的起始原料，光学纯度可达 99% 或更高。
• A green resolution–separation process for aliphatic secondary alcohols
  作者：Liwei Ren、Tian Xu、Ruoping He、Zhenhua Jiang、Hua Zhou、Ping Wei

  DOI：10.1016/j.tetasy.2013.01.018

  日期：2013.3

  In order to obtain both enantiomers of aliphatic secondary alcohols via a greener method, the four-step resolution-separation process involving lipase-catalyzed enantioselective esterification and hydrolysis as well as two separation procedures both via heterogeneous azeotropic distillation was developed. (S)-2-Pentanol (ee = 98.6%), (R)-2-pentanol (ee >99%), (S)-2-octanol (ee = 98.2%), and (R)-2-octanol (ee = 98.5%) were all produced in high purity (>98%) and high yield (>90%). In addition to the two model substrates, this method could also be applied to the resolution of other aliphatic secondary alcohols. (C) 2013 Elsevier Ltd. All rights reserved.
• MOSANDL, ARMIN;DEGER, WOLFGANG, Z. LEBENSM.-UNTERSUCH. UND FORSCH., 185,(1987) N 5, 379-382
  作者：MOSANDL, ARMIN、DEGER, WOLFGANG

  DOI：——

  日期：——
• US5973214A
  申请人：——

  公开号：US5973214A

  公开（公告）日：1999-10-26
• Effects of different solid state fermentation substrate on biochemical properties of cutinase from Fusarium sp.
  作者：Paula Speranza、Patrícia de Oliveira Carvalho、Gabriela Alves Macedo

  DOI：10.1016/j.molcatb.2011.06.003

  日期：2011.11

  The present results demonstrate that the catalytic characteristics of cutinase produced by the same strain differ depending on the culture medium used. This conclusion was possible after the study of biochemical characterization and enantioselective properties of cutinases produced by Fusarium oxysporum in four different culture mediums. The mediums were composed of wheat bran, soybean rind, rice bran and Jatropha curcas seed cake, different Brazilian agricultural by-products. The largest difference can be observed on cutinase produced by J. curcas seed cake. This enzyme has been activated in most metal ions tested and exhibited excellent stability in organic solvent, especially hexane. The cutinase produced in rice bran showed greatest activity in the presence of p-nitrophenyl butyrate as a substrate, whereas the other enzymes showed greatest activity in the presence of p-nitrophenyl caprilate. Regarding enantioselective properties the cutinase produced in soybean rind showed the best result compared to enzymes produced in wheat bran. (C) 2011 Elsevier By. All rights reserved.