propyl 3-hydroxy-2-phenylpropionate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: propyl 3-hydroxy-2-phenylpropionate
• 英文别名: Propyl 3-hydroxy-2-phenylpropanoate
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: ALKRCAYGVDIBCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  丙醇 、 DL-托品酸 在 硫酸 作用下， 反应 12.0h， 生成 propyl 3-hydroxy-2-phenylpropionate
  参考文献：
  名称：

  Rational Control of Enzymatic Enantioselectivity through Solvation Thermodynamics

  摘要：

  The enantioselectivity of cross-linked crystals of gamma-chymotrypsin in the transesterification of the medicinally important compound methyl 3-hydroxy-2-phenylpropionate (1) with propanol has been examined in a variety of organic solvents. The (k(cat)/K-M)(s)/k(cat)/K-M)(R) ratio in this enzymatic process can be forced to span a 20-fold range simply by switching from one solvent to another; in fact, while the enzyme strongly prefers the S-enantiomer of 1 in some solvents, the R-antipode is more reactive in others. These striking observations are quantitatively rationalized by accounting for the energetics of desolvation of S-1 and R-1 in the enzyme-bound transition states. In order to accomplish this, explicit rules have been established for the modeling and thermodynamic quantification of the partially desolvated substrate's transition state moieties.

  DOI：

  10.1021/ja961394q

文献信息

• ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE
  申请人：Yu J. Ruey

  公开号：US20060251597A1

  公开（公告）日：2006-11-09

  This application discloses a composition comprising a malodor compound and an anti-odor ingredient effective for reducing the presence or production of malodor. The composition may be topically applied to a subject and is useful for cosmetic conditions, pharmaceutical indications, or other objectives.

  本申请公开了一种包含恶臭化合物和抑臭成分的组合物，用于减少恶臭的存在或产生。该组合物可以局部应用于一个对象，并且适用于化妆条件、药用指示或其他目的。
• ALPHA HYDROXYACID ESTERS FOR SKIN AGING
  申请人：Yu, Ruey J., Dr.

  公开号：EP0831767A1

  公开（公告）日：1998-04-01
• EP0831767A4
  申请人：——

  公开号：EP0831767A4

  公开（公告）日：2000-05-17
• US5686489A
  申请人：——

  公开号：US5686489A

  公开（公告）日：1997-11-11
• [EN] ALPHA HYDROXYACID ESTERS FOR SKIN AGING<br/>[FR] ESTERS D'ALPHA HYDROXYACIDE UTILISES POUR TRAITER LE VIEILLISSEMENT DE LA PEAU
  申请人：YU, Ruey, J.

  公开号：WO1996040047A1

  公开（公告）日：1996-12-19

  (EN) Alpha hydroxyacid esters and related compounds on topical application induced increased skin thickness due to new biosyntheses of dermal components including glycosaminoglycans, proteoglycans, collagen and elastin. Such dermal effects are desirable and beneficial for topical use and treatment of aging related integumental changes including age spots, skin lines, wrinkles, photoaging and aging skin.(FR) L'invention concerne des esters d'alpha hydroxyacide et des composés associés qui, dans des applications topiques, permettent d'augmenter l'épaisseur de la peau, grâce à de nouvelles biosynthèses de composants dermiques comprenant des glycosaminoglycanes, des protéoglycanes, du collagène et de l'élastine. Ces effets dermiques sont souhaitables et bénéfiques pour une application topique et pour le traitement des modifications tégumentaires liées au vieillissement. Ces modifications comprennent les tâches de vieillissement, les ridules, les rides, le photovieillissement et le vieillissement de la peau.