棕榈酸己酯 | 42232-25-7

• 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: 棕榈酸己酯
• 英文名称: hexyl hexadecanoate
• 英文别名: Palmitinsaeure-n-hexylester；Palmitinsaeurehexylester；Cetylpalmitat；hexyl palmitate
• CAS: 42232-25-7
• 化学式: C₂₂H₄₄O₂
• 分子量: 340.59
• InChiKey: IOVYZELOJXWQKD-UHFFFAOYSA-N

物化性质

• LogP：
  9.956 (est)
• 保留指数：
  2364

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  24
• 可旋转键数：
  20
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915709000

反应信息

• 作为产物：
  描述：

  棕榈酸对硝基苯酯 、 正己醇 在 constitutive mycelium-bound lipase from Aspergillus niger MYA 135 作用下， 以 正己烷 、 丙酮 为溶剂， 反应 1.0h， 生成 棕榈酸己酯
  参考文献：
  名称：

  使用来自黑曲霉 MYA 135 的具有脂肪酶活性的生物催化剂在水性和有机介质中进行特异性酶催化水解和合成

  摘要：

  在本研究中，在水性和有机介质中评估了三种生物催化剂的特定水解活性，例如组成型菌丝体结合脂肪酶、诱导菌丝体结合脂肪酶和来自黑曲霉 MYA 135 的冻干诱导上清液。对于相同的水解反应，未观察到水中活性与正己烷之间的直接相关性。正己烷/水活度比 (RO/A) 用于表征有机介质中的活性。三种生物催化剂在水解长链脂肪酸酯时表现出高于 1 的 RO/A 值，表明在有机溶剂中比在水中具有更高的比水解活性。在中链脂肪酸酯的水解过程中观察到不同的行为，在水性介质中更高（RO/A < 1）。使用所有三种生物催化剂制备的不同醇与各种对硝基苯基衍生物的酯交换也在正己烷中进行了评估。对于甲醇分解和乙醇分解，组成型菌丝体结合脂肪酶显示出对 C16 底物（对硝基苯基棕榈酸酯）的有趣偏好。诱导菌丝体结合脂肪酶在水溶性醇和中链脂肪酸酯（对硝基苯基癸酸酯和对硝基苯基月桂酸酯）存在下表现出较高的特异性酯交换活性，具有最高的特异性酯交换活性（91

  DOI：

  10.1007/s10562-012-0901-6

文献信息

• Process for producing esters employing hydrolyzable catalysts
  申请人：Kendall Kirby J.

  公开号：US20050240040A1

  公开（公告）日：2005-10-27

  A process for producing esters wherein a carboxylic acid is reacted with an alcohol in the presence of a hydrolyzable catalyst in an aqueous medium under mixing to produce a reaction mixture comprising an organic phase containing ester and an aqueous phase.

  在水性介质中，在混合作用下，通过将羧酸与醇在可水解催化剂存在下反应，生成酯的过程，形成包含酯的有机相和水相的反应混合物。
• Carbocatalysis: N-doped reduced graphene oxide catalyzed esterification of fatty acids with long chain alcohols
  作者：Jyoti Porwal、Neha Karanwal、Savita Kaul、Suman L. Jain

  DOI：10.1039/c5nj02095f

  日期：——

  Nitrogen doped reduced graphene oxide (N-rGO) was found to be an efficient metal free and heterogeneous catalyst for the esterification of different fatty compounds including Bischofia javanica and Toona ciliata fatty acids with long chain alcohols.

  氮掺杂还原石墨烯氧化物（N-rGO）被发现是一种高效的无金属和异质催化剂，可用于不同脂肪化合物（包括Bischofia javanica和Toona ciliata脂肪酸）与长链醇的酯化反应。
• Process for preparing solid titanium trichloride useful for the polymerization of an alpha-olefin
  申请人：MITSUBISHI KASEI CORPORATION

  公开号：EP0099026A2

  公开（公告）日：1984-01-25

  A process for preparing solid titanium trichloride useful for the polymerization of an a-olefin, which comprises precipitating violet-colored fine solid particles of titanium trichloride at a temperature of not higher than 150°C from a liquid of titanium trichloride liquefied in the presence of an ether, characterized in that after the amount of the precipitated violet-colored fine solid particles of titanium trichloride reaches at least 80% based on the total amount of titanium trichloride in the system, titanium tetrachloride is added in an amount within a molar ratio of from 0.2 to 10 based on the total amount of titanium trichloride in the system, followed by ageing at a temperature of from 60 to 120°C.

  一种用于聚合 a-烯烃的固体三氯化钛的制备方法，包括在不高于 150℃的温度下，从在醚存在下液化的三氯化钛液体中析出紫色细固体三氯化钛颗粒、其特征在于，当沉淀的三氯化钛紫罗兰色细固体颗粒的量达到体系中三氯化钛总量的至少 80% 时，加入四氯化钛，加入量的摩尔比为 0.2 至 10 的摩尔比加入四氯化钛，然后在 60 至 120°C 的温度下老化。
• An agricultural composition with reduced toxicity to fishes and shellfishes
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0189377A2

  公开（公告）日：1986-07-30

  Agricultural formulation with reduced toxicity to fishes and shelifishes, characterized by comprising a lipophilic agriculturally active ingredient (I) and an organic compound (II) having a partition coefficient to the said compound (I) in water of no less than 102 and a process for the production of the said formulation.

  一种对鱼类和遮目鱼毒性降低的农用制剂，其特征在于包含一种亲脂性农用活性成分（I）和一种有机化合物（II），其与上述化合物（I）在水中的分配系数不低于 102，以及一种生产上述制剂的工艺。
• Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0282127A2

  公开（公告）日：1988-09-14

  The present invention relates to beta-aminoethyl-substituted phenyl compounds, especially beta-aminoethoxy-substituted phenyl compounds, having the general structure: wherein: the W-X moiety is selected from -C(O)NH-, -C(S)NH-, -S(O)₂NH-, -NHC(O)O-, -NHC(S)O-, -NHC(O)NH-, and -NHC(S)NH- wherein either available bond of the W-X moiety is bonded to the R moiety and the remaining bond is attached to the benzyl carbon atom; Z is selected from hydrogen, hydroxy, and methoxy; R¹ is selected from hydrogen, hydroxy, alkyl esters of hydroxy having from about 1 to about 5 carbon atoms, alkyl having from about 1 to about 5 carbon atoms, and alkoxy having from about 1 to about 5 carbon atoms; each R² is inde­pendently selected from hydrogen, halogen, unsubstituted or substituted alkyl having from about 1 to about 5 carbon atoms, substituted or unsubstituted aryl, and carboxylate, or two R² moieties are covalently bonded to form a substituted or unsub­stituted alkyl ring having from about 3 to about 7 carbon atoms in the ring; R is a C₆-C₂₄ alkyl moiety; and Y is selected from -O-, -S- and -NH-. The present invention also relates to pharmaceutical compo­sitions comprising a safe and effective amount of a compound of the present invention and a pharmaceutically-acceptable carrier. The present invention further relates to methods for producing analgesia and reducing inflammation, in humans and lower ani­mals, by administering the compounds or compositions of the present invention. In addition, the present invention relates to methods for making compounds of the present invention and intermediates useful in these synthesis methods.

  本发明涉及具有一般结构的β-氨基乙基取代苯基化合物，特别是β-氨基乙氧基取代苯基化合物： 其中W-X分子选自-C(O)NH-、-C(S)NH-、-S(O)₂NH-、-NHC(O)O-、-NHC(S)O-、-NHC(O)NH-和-NHC(S)NH-，其中W-X分子的任一可用键与R分子键合，其余键与苄基碳原子相连；Z 选自氢、羟基和甲氧基； R¹ 选自氢、羟基、约 1 至约 5 个碳原子的羟基烷基酯、约 1 至约 5 个碳原子的烷基和约 1 至约 5 个碳原子的烷氧基；每个 R² 独立地选自氢、卤素、具有约 1 至约 5 个碳原子的未取代或取代的烷基、取代或未取代的芳基和羧基，或两个 R² 分子共价键合以形成环中具有约 3 至约 7 个碳原子的取代或未取代的烷基环；R 是 C₆-C₂₄ 烷基；以及 Y 选自-O-、-S- 和-NH-。 本发明还涉及药物组合物，其包含安全有效量的本发明化合物和药学上可接受的载体。本发明进一步涉及通过施用本发明化合物或组合物，在人类和低等动物中产生镇痛和减轻炎症的方法。此外，本发明还涉及制造本发明化合物的方法以及在这些合成方法中有用的中间体。