(d-lactic acid )-(dl-sec-butyl)-ester | 1181813-03-5

• 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: (d-lactic acid )-(dl-sec-butyl)-ester
• 英文别名: (d-Milchsaeure)-(dl-sek.-butyl)-ester；(dl-sek.-Butyl)-(d-lactat)；butan-2-yl (2R)-2-hydroxypropanoate
• CAS: 1181813-03-5
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: DGHQMSLDUXOQEO-PRJDIBJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (d-lactic acid )-(dl-sec-butyl)-ester 、 对硝基肉桂酸 生成
  参考文献：
  名称：

  X-ray and Miscibility Investigations on New Compounds Exhibiting Wide Range Smectic Q Phases

  摘要：

  Four new series of liquid crystals are presented. Six of the new chiral compounds which are members of three different series exhibit wide range SmQ phases while their respective racemates and shorter homologues show SmCA, SmC and SmA phases. X-ray investigations on the SmQ phase of two compounds confirm its three-dimensional tetragonal lattice and show that the lattice parameter c can be both smaller or larger than the parameters a = b.

  DOI：

  10.1080/10587259508038708
• 作为产物：
  描述：

  D-乳酸乙酯 、 仲丁醇 在 硫酸 作用下， 生成 (d-lactic acid )-(dl-sec-butyl)-ester
  参考文献：
  名称：

  Wood; Such; Scarf, Journal of the Chemical Society, 1926, p. 1935

  摘要：

  DOI：

文献信息

• Lipase-Catalyzed Oligomerization and Hydrolysis of Alkyl Lactates: Direct Evidence in the Catalysis Mechanism That Enantioselection Is Governed by a Deacylation Step
  作者：Hitomi Ohara、Akihisa Onogi、Masafumi Yamamoto、Shiro Kobayashi

  DOI：10.1021/bm1003674

  日期：2010.8.9

  l-lactates in similar conditions. Lipase-catalyzed hydrolysis of alkyl d- and l-lactates was also examined, revealing that the hydrolysis took place for both d- and l-lactates, although l-lactates proceeded a couple of times slower. The hydrolysis results clearly demonstrate that the lipase catalysis mechanism involves an acyl-enzyme intermediate (EM) formation via the acylation step from both d- and

  首次研究了脂肪酶催化的d-和l-乳酸烷基酯单体（分别为RDLa和RLLa）的低聚反应。已经发现，低聚仅对d-乳酸酯发生对映选择性，从而通过使用伯C1-C8烷基和仲-丁基作为d-乳酸酯单体，以良好至高产率使低聚物达到乳酸（LA）的七聚体。在类似条件下，所有l-乳酸均未发生反应。烷基的脂肪酶催化的水解d -和升-lactates还检查，揭示了水解发生两个d -和升-l乳酸盐，尽管l-乳酸盐进行的速度慢了几倍。水解结果清楚地表明，脂肪酶的催化机制涉及通过d-和l-乳酸的酰化步骤形成酰基酶中间体（EM），作为速率确定步骤，随后的脱酰步骤是水的亲核攻击。到EM发生，以产生免费的LA。另一方面，在d-乳酸酯的低聚中，脱酰基步骤仅在sec - d内允许单体的仲醇基团或向EM传播的链端进攻的仲醇基团。-醇基团得到一个-LA-单元延长的低聚物。l-乳酸盐形成EM ; 然而，同时与随后的脱酰反应秒-升-和仲-
• Wood; Such; Scarf, Journal of the Chemical Society, 1926, p. 1935
  作者：Wood、Such、Scarf

  DOI：——

  日期：——
• X-ray and Miscibility Investigations on New Compounds Exhibiting Wide Range Smectic Q Phases
  作者：D. Bennemann、G. Heppke、A.-M. Levelut、D. Lötzscho

  DOI：10.1080/10587259508038708

  日期：1995.2

  Four new series of liquid crystals are presented. Six of the new chiral compounds which are members of three different series exhibit wide range SmQ phases while their respective racemates and shorter homologues show SmCA, SmC and SmA phases. X-ray investigations on the SmQ phase of two compounds confirm its three-dimensional tetragonal lattice and show that the lattice parameter c can be both smaller or larger than the parameters a = b.