3-羟丙基十六烷酸酯 | 821-16-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-羟丙基十六烷酸酯
• 英文名称: 3-hydroxypropyl hexadecanoate
• 英文别名: 3-hydroxypropyl palmitate；Mono-O-palmitoyl-propandiol-(1.3)；Propandiol-(1,3)-monopalmitinsaeureester；1-Palmitoyloxy-propanol-(3)；Palmitinsaeure-(3-hydroxy-propylester)；palmitic acid-(3-hydroxy-propyl ester)
• CAS: 821-16-9
• 化学式: C₁₉H₃₈O₃
• 分子量: 314.509
• InChiKey: ZUFBWTZQHUODCE-UHFFFAOYSA-N

物化性质

• 熔点：
  42-43.5 °C
• 沸点：
  387.4±15.0 °C(Predicted)
• 密度：
  0.916±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  22
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 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：

  3-羟丙基十六烷酸酯 在 四氮唑 、 叔丁基过氧化氢 、 三氟乙酸 作用下， 以 四氢呋喃 、 癸烷 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 C₂₂H₄₄NO₈P*C₂H₄O₂
  参考文献：
  名称：

  Structure–Activity Relationships of Lysophosphatidylserine Analogs as Agonists of G-Protein-Coupled Receptors GPR34, P2Y10, and GPR174

  摘要：

  Lysophosphatidylserine (LysoPS) is an endogenous lipid mediator generated by hydrolysis of membrane phospholipid phosphatidylserine. Recent ligand screening of orphan G-protein-coupled receptors (GPCRs) identified two LysoPS specific human GPCRs, namely, P2Y10 (LPS2) and GPR174 (LPS3), which, together with previously reported GPR34 (LPS1), comprise a LysoPS receptor family. Herein, we examined the structure-attivity relationships of a series of synthetic LysoPS analogues toward these recently deorphanized LysoPS,receptors, based on the idea that LysoPS can be regarded as consisting of distinct modules (fatty acid, glycerol, and L-Serine) connected by phosphodiester and ester linkages. Starting from the endogenous ligand (1-oleoyl-LysolPS, 1), we optimized the structure of each module and the ester linkage. Accordingly, we identified some structural requirements of each module for potency and for receptor subtype selectivity. Further assembly of individually structure-optimized modules yielded a series of potent and LysoPS receptor subtype-selective agonists, particularly for P2Y10 and GPR174.

  DOI：

  10.1021/jm5020082
• 作为产物：
  描述：

  1,3-丙二醇 、 棕榈酰氯 在 吡啶 作用下， 生成 3-羟丙基十六烷酸酯
  参考文献：
  名称：

  Eibl; Westphal, Justus Liebigs Annalen der Chemie, 1967, vol. 709, p. 244 - 245

  摘要：

  DOI：

文献信息

• Protecting-group-free synthesis of hydroxyesters from amino alcohols
  作者：Guillaume Reynard、Eve-Marline Joseph-Valcin、Hélène Lebel

  DOI：10.1039/d0cc03242e

  日期：——

  The synthesis of hydroxyesters from carboxylic acids and unprotected amino alcohols in both continuous flow and batch processes is reported. The formation of a transient diazonium species with a dinitrite reagent is key in this transformation. The reaction conditions are compatible with a variety of functional groups.

  报道了在连续流动和间歇过程中由羧酸和未保护的氨基醇合成羟基酯的方法。用亚硝酸盐试剂形成瞬态重氮物质是该转化的关键。反应条件与各种官能团相容。
• USE OF AT LEAST ONE LYSINE-DERIVED COMPOUND FOR THE CONDITIONING OF KERATINOUS FIBERS, COSMETIC COMPOSITION COMPRISING IT AND METHOD FOR CONDITIONING THE FIBERS
  申请人：RAMOS-STANBURY Laure

  公开号：US20100202998A1

  公开（公告）日：2010-08-12

  The present disclosure relates to a method for the conditioning of keratinous fibers comprising applying to dry or wet fibers, a cosmetic composition comprising at least one entity chosen from lysine-derived compounds of formula (I), and the salts and/or solvates thereof. The disclosure also relates to a cosmetic composition for conditioning keratinous fibers comprising, in a cosmetically acceptable medium, at least one entity chosen from lysine-derived compounds of formula (I) and the salts and/or solvates thereof and at least one cosmetic adjuvant. The disclosure also relates to a mixture of at least one entity chosen from lysine-derived compounds of formula (I) and the salts and/or solvents thereof.

  本公开涉及一种角蛋白纤维调理方法，包括将式(I)的赖氨酸衍生物中至少一种实体及其盐和/或溶剂，应用于干燥或湿润的纤维上的化妆品组合物。本公开还涉及一种用于调理角蛋白纤维的化妆品组合物，包括至少一种式(I)的赖氨酸衍生物及其盐和/或溶剂以及至少一种化妆辅料，这些组分在化妆上可接受的介质中。本公开还涉及至少一种式(I)的赖氨酸衍生物及其盐和/或溶剂的混合物。
• Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes
  申请人：McDaniel C. Steven

  公开号：US20100210745A1

  公开（公告）日：2010-08-19

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peotide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文公开了一些聚合材料，如涂层、塑料、层压板、复合材料、弹性体、粘合剂或密封剂；一种表面处理，如纺织品涂层或蜡；一种填料，用于这样的聚合材料或表面处理，其中包括一种酶，如酯酶（例如，脂肪水解酶，硫酸酯水解酶，有机磷化合物降解酶），降解细胞壁和/或细胞膜成分的酶（例如，溶菌酶，裂解转糖基酶），生物杀菌或生物静态肽，以及/或肽酶。本文还公开了通过将酶纳入可通过脂肪水解酶、水解酶和/或脲酶的活性交联材料中来改变材料性能，如使用寿命、柔韧性或刚度的方法。
• POLYOL SYNTHESIS FROM FATTY ACIDS AND OILS
  申请人：Curtis Jonathan

  公开号：US20130274494A1

  公开（公告）日：2013-10-17

  A method for preparing polyols from fatty acid substrates such as free fatty acids, alkyl esters of fatty acids, mono-glycerides, diglycerides, and triglycerides. The method comprises the steps of (a) epoxidizing an unsaturated fatty acid substrate and (b) hydroxylating the epoxidized fatty acid substrate with at least one diol to produce a polyol or a blend of polyols. The method may be varied to produce polyols with desired functionality, molecular weights, or viscosity.

  一种从脂肪酸底物制备多元醇的方法，例如自由脂肪酸、脂肪酸烷基酯、单甘油酯、双甘油酯和三甘油酯。该方法包括以下步骤：（a）环氧化不饱和脂肪酸底物和（b）用至少一种二元醇羟化环氧化的脂肪酸底物，以产生多元醇或多元醇混合物。该方法可以变化以产生所需的功能性、分子量或粘度的多元醇。
• Anti-fouling Paints and Coatings
  申请人：Reactive Surfaces LTD

  公开号：US20150191607A1

  公开（公告）日：2015-07-09

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peptide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文披露了聚合材料，例如涂层、塑料、层压材料、复合材料、弹性体、粘合剂或密封剂；表面处理，例如纺织品整理或蜡；填充剂，用于这种聚合材料或表面处理，包括酯酶（例如脂肪水解酶、硫酸酯水解酶、有机磷化合物降解酶）的酶，降解细胞壁和/或细胞膜成分的酶（例如溶菌酶、裂解转葡糖苷酶），生物杀菌或生物稳定肽，和/或肽酶。本文还披露了通过将酶并入能够通过脂肪水解酶、水解酶和/或脲酶的活性进行化学交联的材料中，改变材料性能（例如使用寿命、柔韧性或刚度）的方法。