α-Hexadecylhydracrylic acid | 33785-89-6

• 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: α-Hexadecylhydracrylic acid
• 英文别名: α-Hexadecylhydracrylsaeure；α-hydroxymethylstearic acid；2-(Hydroxymethyl)octadecanoic acid
• CAS: 33785-89-6
• 化学式: C₁₉H₃₈O₃
• 分子量: 314.509
• InChiKey: UZXORIUANPGXEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  22
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  α-Hexadecylhydracrylic acid 在 磷酸 2-Hexadecyl-acrylic acid 、 丙酮 作用下， 生成 2-Hexadecyl-acrylic acid
  参考文献：
  名称：

  .alpha.-Alkyl-substituted glycidates and thioglycidates

  摘要：

  α位上取代了11至16个碳原子的长链烷基的环氧丙烷酸酯和硫代环氧丙烷酸酯具有降血糖活性。

  公开号：

  US04196300A1
• 作为产物：
  描述：

  2-(ethoxycarbonyl)octadecanoic acid 在 锂硼氢 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 以50%的产率得到α-Hexadecylhydracrylic acid
  参考文献：
  名称：

  长链β-内酯的合成及其对致病性分枝杆菌的抗菌活性。

  摘要：

  为了寻求新的抗菌剂，开发了一系列新颖的长链和中链单和双取代β-内酯。它们针对三种致病性分枝杆菌-M的活性。通过刃天青素微量滴定分析（REMA）评估脓肿，海藻分枝杆菌和结核分枝杆菌。在合成的16种β-内酯中，只有3-十六烷基氧杂环丁烷-2-酮（VM005）表现出对脓肿分支杆菌的有希望的活性，而大多数β-内酯表现出了有趣的抗海藻分支杆菌的活性，类似于经典抗生素，异烟肼。关于结核分枝杆菌，发现有六种化合物对这种分枝杆菌有活性，与β-内酯VM008 [反式-（Z）-3-（十六烷基-7-烯-1-基）-4-丙基氧杂环丁烷-2-一]是最好的生长抑制剂。

  DOI：

  10.1002/cmdc.201800720

文献信息

• Vegetable based dioxanone derivatives, synthesis and uses thereof
  申请人：Binder Paul Thomas

  公开号：US20050234121A1

  公开（公告）日：2005-10-20

  The present invention is directed to carboxylic acid and ester moieties that are attached to a carbon chain that is between 2 and 24 carbons in length wherein, the chain contains at least one dioxanone ring system, said dioxanone being formed from two adjacent carbons in the chain and/or at least one carbon in the chain is substituted with a pendant dioxanone ring system. In preferred embodiments, the carbon chain is a fatty acid residue. The carbons of said chain can be optionally substituted, saturated or unsaturated. When two or more said ester moieties are present, the invention is directed to a polyester such as a triglyceride, that contains multiple carbon chains wherein each chain is independently derivatized such that the triglyceride contains at least one dioxanone ring system, said dioxanone being formed from two adjacent carbons in at least one of said chains. The present invention is also directed to a method of preparing a dioxanone containing composition or fatty acid derivative. The present invention is also directed to coating formulations and polymers that utilize a dioxanone containing composition or fatty acid derivative, and methods of making such coatings and polymers.

  本发明涉及连接到长度在2到24碳之间的碳链上的羧酸和酯基团，其中该链含有至少一个二氧杂环己酮环系统，所述二氧杂环己酮是由链中的两个相邻碳和/或链中的至少一个碳被取代为挂链的二氧杂环己酮环系统而形成的。在优选实施例中，碳链是脂肪酸残基。所述链的碳可以选择性地被取代、饱和或不饱和。当存在两个或更多的酯基团时，该发明涉及一种聚酯，例如三酸甘油酯，其中包含多个碳链，每个链都独立地衍生，使得三酸甘油酯含有至少一个二氧杂环己酮环系统，所述二氧杂环己酮是由至少一个链中的两个相邻碳形成的。本发明还涉及制备含有二氧杂环己酮的组合物或脂肪酸衍生物的方法。本发明还涉及利用含有二氧杂环己酮的组合物或脂肪酸衍生物的涂料配方和聚合物，以及制备此类涂料和聚合物的方法。
• Methods for Preparing Phenolic Branched Chain Alkyl Fatty Acids or Esters Thereof and Methods for Killing Microorganisms
  申请人：The United States of America, as represented by the Secretary of Agriculture

  公开号：US20170253552A1

  公开（公告）日：2017-09-07

  Disclosed are methods for preparing phenolic branched chain fatty acids or alkyl esters thereof, involving subjecting in a pressurized container (a) at least one phenolic compound, (b) unsaturated fatty acids having 6 to 25 carbon atoms, alkyl esters thereof, or mixtures thereof, and (c) H-ferrierite zeolite catalyst in the presence of distilled water or alcohol and a nitrogen atmosphere at a temperature of about 100° C. to about 400° C. and a pressure of about 10 to about 1000 psi, and isolating saturated phenolic branched chain fatty acids or alkyl esters thereof or mixtures thereof. Also disclosed are methods for killing microorganisms on or in an object, involving contacting said object with an effective microorganisms killing amount of a composition comprising phenolic branched chain fatty acids or alkyl esters thereof, and optionally a carrier; the phenolic branched chain fatty acids or alkyl esters thereof may be produced by the methods described herein.

  本文揭示了制备酚支链脂肪酸或其烷基酯的方法，包括在加压容器中（a）至少一种酚化合物，（b）碳原子数为6至25的不饱和脂肪酸，其烷基酯或二者的混合物，以及（c）H-ferrierite沸石催化剂，在蒸馏水或醇和氮气氛下，在约100°C至约400°C的温度和约10至约1000 psi的压力下进行处理，并分离饱和的酚支链脂肪酸或其烷基酯或二者的混合物。还揭示了一种在物体上或内部杀灭微生物的方法，涉及将所述物体与含有酚支链脂肪酸或其烷基酯的有效微生物杀灭量的组合物接触，并可选地含有载体；酚支链脂肪酸或其烷基酯可以通过本文描述的方法生产。
• .alpha.-Alkyl-substituted glycidates and thioglycidates
  申请人：McNeilabs, Inc.

  公开号：US04196300A1

  公开（公告）日：1980-04-01

  Glycidates and thioglycidates substituted in the .alpha.-position with a long chain alkyl of from 11 to 16 carbons having hypoglycemic activity.

  具有降血糖活性的长链烷基（碳数为11到16）取代的α-位置的环氧丙烷酸酯和硫代环氧丙烷酸酯。
• Hydroxymethyl polyols
  申请人：HENKEL CORPORATION (a Delaware corp.)

  公开号：EP0106491A2

  公开（公告）日：1984-04-25

  Non-gelling polyols and alkoxylated polyol derivatives, particularly useful in the manufacture of polyurethanes, are disclosed. The polyols of formula I (wherein R represents a polyol, polyamine or aminoalcohol residue; p is an integer of from 2 to 6; each X, which may be the same or different, represents an oxygen or nitrogen atom or a group > NH; each a, which may be the same or different, is an integer of from 0 to 10, the sum of all a's being greater than 0; and each A, which may the same or different, represents a group of formula A,, A3 [wherein m and n are integers; m is greater than 3; n is greater than or equal to 0; and the sum of m and n is from 11 to 19] or A2 [wherein q, r and s are integers; q is greater than 3; r and s, which may be the same or different, are each greater than or equal to 0; and the sum of q, r and s is from 10 to 18]; with the proviso that where each X represents an oxygen atom, p is 3, each A is A, and each a is 1, then R represents other than the residue of glycerol) are prepared by reacting a hydroxymethyl containing monomer compound with a polyol, polyamine or aminoalcohol.

  本发明公开了特别适用于制造聚氨酯的非胶凝型多元醇和烷氧基化多元醇衍生物。式 I 的多元醇 (其中 R 代表多元醇、多胺或氨基醇残基；p 是 2 至 6 的整数；每个 X（可以相同或不同）代表氧原子或氮原子或基团 >NH；每个 a（可以相同或不同）是 0 至 10 的整数，所有 a 的总和大于 0；每个 A（可以相同或不同）代表式 A、A3 的基团 [其中 m 和 n 为整数；m 大于 3；n 大于或等于 0；m 和 n 之和为 11 至 19]或 A2 [其中 q、r 和 s 为整数；q 大于 3；r 和 s（可以相同或不同）各自大于或等于 0；且 q、r 和 s 之和为 10 至 18]；但其中每个 X 代表一个氧原子，p 为 3，每个 A 为 A，且每个 a 为 1，则 R 代表甘油残基以外的其他物质）是通过将含羟甲基的单体化合物与多元醇、多胺或氨基醇反应制备的。
• Methods for preparing phenolic branched chain alkyl fatty acids or esters thereof and methods for killing microorganisms
  申请人：The United States of America, as represented by the Secretary of Agriculture

  公开号：US10071946B2

  公开（公告）日：2018-09-11

  Disclosed are methods for preparing phenolic branched chain fatty acids or alkyl esters thereof, involving subjecting in a pressurized container (a) at least one phenolic compound, (b) unsaturated fatty acids having 6 to 25 carbon atoms, alkyl esters thereof, or mixtures thereof, and (c) H-ferrierite zeolite catalyst in the presence of distilled water or alcohol and a nitrogen atmosphere at a temperature of about 100° C. to about 400° C. and a pressure of about 10 to about 1000 psi, and isolating saturated phenolic branched chain fatty acids or alkyl esters thereof or mixtures thereof. Also disclosed are methods for killing microorganisms on or in an object, involving contacting said object with an effective microorganisms killing amount of a composition comprising phenolic branched chain fatty acids or alkyl esters thereof, and optionally a carrier; the phenolic branched chain fatty acids or alkyl esters thereof may be produced by the methods described herein.

  本发明公开了制备酚支链脂肪酸或其烷基酯的方法，包括在一个加压容器中，在蒸馏水或酒精和氮气环境下，在约 100° C 至约 400° C 的温度和约 10 至约 1000 psi 的压力下，将(a)至少一种酚类化合物、(b)具有 6 至 25 个碳原子的不饱和脂肪酸、其烷基酯或其混合物和(c)H-沸石沸石催化剂进行反应，并分离出饱和酚支链脂肪酸或其烷基酯或其混合物。至约 400°C，压力约 10 至约 1000 psi，分离饱和酚支链脂肪酸或其烷基酯或其混合物。还公开了杀灭物体上或物体中微生物的方法，包括将所述物体与杀灭微生物有效量的组合物接触，该组合物包括酚支链脂肪酸或其烷基酯，以及可选的载体；酚支链脂肪酸或其烷基酯可通过本文所述方法制得。