NSC 3172 | 5299-67-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: NSC 3172
• 英文别名: 4-dodecanoyl-morpholine；4-lauroyl-morpholine；4-Lauroyl-morpholin；4-(1-oxododecyl)morpholine；N-lauroyl-morpholine；Laurinsaeure-morpholid；4-Lauroylmorpholine；1-morpholin-4-yldodecan-1-one
• CAS: 5299-67-2
• 化学式: C₁₆H₃₁NO₂
• 分子量: 269.428
• InChiKey: CIGPQLJUBWRNNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  NSC 3172 在 lithium aluminium tetrahydride 、 硫酸 作用下， 以 四氢呋喃 为溶剂， 生成 4-十二烷基吗啉
  参考文献：
  名称：

  长烷基链酰胺，胺及其衍生物对犬round虫幼虫的杀线虫活性。

  摘要：

  检查了具有长烷基链的酰胺和胺对犬round虫第二阶段幼虫的杀线虫活性。在氮上具有较小取代基的长链酰基酰胺显示出更强的活性，环状胺酰胺的活性强于无环酰胺。在一系列同源酰胺中，活性取决于烷基链长：在最佳链长处达到最大值，而在较短和较长的同系物中均降低。通过使用双线性模型分析了同系物的活性与疏水性之间的关系。对于所有中性酰胺，提供最大活性的化合物的疏水性均相似，但分子中具有额外胺基的酰胺具有不同的值。具有长烷基链的叔胺及其盐也具有与相应酰胺相当的杀线虫活性。这些盐以低于其临界胶束浓度的浓度杀死幼虫，表明它们表现为杀线虫作用的单个分子。

  DOI：

  10.1248/cpb.40.3234
• 作为产物：
  描述：

  月桂酸 在 氯化亚砜 作用下， 以 乙醚 为溶剂， 生成 NSC 3172
  参考文献：
  名称：

  Dodecanoic acid derivatives: Synthesis, antimicrobial evaluation and development of one-target and multi-target QSAR models

  摘要：

  In this study a series of dodecanoic acid derivatives (1-30) were synthesized and evaluated for in vitro antimicrobial activity against the panel of Gram positive, Gram negative bacterial and fungal strains. 4-Nitro phenyl dodecanoate (4) and quinolin-8-yl dodecanoate (5) emerged as most effective antibacterial agents, and 1-(4-benzylpiperazin-1-yl) dodecan-1-one (15) was found to be the most effective antifungal agent amongst the synthesized dodecanoic acid derivatives. Quantitative structure activity relationship (QSAR) studies performed by the development of one-target and multi-target models indicated that multi-target model was effective in describing the antimicrobial activity of dodecanoic acid derivatives as well demonstrated the importance of topological parameter, zero-order molecular connectivity index ((0)chi).

  DOI：

  10.1007/s00044-010-9383-5

文献信息

• Leishmanicidal potential of N-substituted morpholine derivatives: Synthesis and structure–activity relationships
  作者：Khalid Mohammed Khan、Muhammad Zarrar Khan、Muhammad Taha、Ghulam Murtaza Maharvi、Zafar Saeed Saify、Shahnaz Parveen、Muhammad Iqbal Choudhary

  DOI：10.1080/14786410802090359

  日期：2009.3.20

  A series of N-substituted morpholines 2–20 was synthesised by reacting various acid chlorides and alkyl halides with morpholine (1). All of the synthesised compounds 2–20 were screened for their leishmanicidal effects using amphotericin B (IC50 = 0.24 µg L−1) and pentamidine (IC50 = 2.56 µg mL−1) as standards and a structure–activity relationship (SAR) study was established. The compounds 2 (IC50 =

  一系列的N-取代的吗啉的2 - 20用各种酰氯和烷基卤化物与吗啉（反应合成1）。所有合成的化合物2 - 20进行了筛选用两性霉素B（IC它们leishmanicidal效果50 = 0.24微克大号-1）和喷他脒（IC 50 = 2.56微克毫升-1）作为标准和结构-活性关系（SAR）研究成立。化合物2（IC 50 = 48 µg mL -1），3（IC 50 = 30.0 µg mL -1），10（IC 50 = 41.0μgmL -1），15（IC 50 = 33.0μgmL -1），16（IC 50 = 35.0μgmL -1）和20（IC 50 = 47.0μgmL -1）表现出较弱的杀菌作用。
• Therapeutic use of mono and bicarboxylic acid amides active at the
  申请人：Lifegroup S.p.A.

  公开号：US05990170A1

  公开（公告）日：1999-11-23

  The following description concerns a therapeutic method for the treatment of diseases connected with the modulation of the cannabinoid peripheral receptor, comprising administering amidic derivatives of mono and bicarboxylic acids with aminoalcohols or arninoethers selectively active on said receptor.

  以下描述涉及一种治疗与大麻素外周受体调节相关疾病的治疗方法，包括通过给予对该受体具有选择性活性的氨基醇或氨基醚的单和双羧酸酰胺衍生物进行治疗。
• Amidation of Carboxylic Acids with Amines by Nb₂O₅as a Reusable Lewis Acid Catalyst
  作者：Md. A. Ali、S. M. A. H. Siddiki、Wataru Onodera、Kenichi Kon、Ken-ichi Shimizu

  DOI：10.1002/cctc.201500672

  日期：2015.11

  Among 28 types of heterogeneous and homogenous catalysts tested, Nb2O5 shows the highest yield for direct amidation of n‐dodecanoic acid with a less reactive amine (aniline). The catalytic amidation by Nb2O5 is applicable to a wide range of carboxylic acids and amines with various functional groups, and the catalyst is reusable. A comparison of the results of the catalytic study and an infrared study

  在测试的28种非均相和均相催化剂中，Nb 2 O 5对正十二烷酸与反应性较小的胺（苯胺）的直接酰胺化反应显示出最高的收率。由Nb 2 O 5催化的酰胺化适用于具有各种官能团的多种羧酸和胺，并且该催化剂是可重复使用的。催化研究和红外研究吸附在催化剂上的乙酸的结果比较表明，Nb 2 O 5上的路易斯酸位点活化了羧酸的羰基，这是Nb的高活性的原因。2 ø 5催化剂。动力学研究表明，Nb 2 O 5上的路易斯酸位比常规路易斯酸性氧化物（Al 2 O 3，TiO 2）具有更高的耐水性。与最新的酰胺化均相路易斯酸催化剂（ZrCl 4）相比，溶液中碱性添加剂对Nb 2 O 5的负面影响较小，这表明Nb 2 O 5对碱的耐受性更高。路易斯酸催化剂比均相路易斯酸催化剂。
• Transdermal compositions of 1-oxohydrocarbyl-substituted azacyclohexanes
  申请人：Whitby, Inc.

  公开号：US05073544A1

  公开（公告）日：1991-12-17

  This invention provides compositions for enhancing penetration of physiologically active agents through the skin or mucosal membranes and for retaining these agents in body tissues, said composition comprising effective amounts of a physiologically-active agent and a compound represented by the general formula ##STR1## wherein X may represent sulfur, oxygen or nitrogen; a and b may be 0 or 1, c may be 0, 1 or 2, except that when X is oxygen, a, b and c are 0, when X is nitrogen c is 0 and only one of a or b is 1, and when X is sulfur a and b are 0; A is a branched or a straight chain, divalent aliphatic radical having from 0 to 2 double bonds; R' is selected from the group consisting of H, a lower alkyl group having from 1 to 4 carbon atoms, phenyl, lower alkyl or halogen substituted phenyl, acetamido, halogen, piperidinyl, lower alkyl or halogen substituted piperidinyl, carbalkoxy, carboxamide, and alkanoyl; and R is hydrogen or a lower alkyl group having from 1 to 4 carbon atoms, ##STR2## wherein R" is H or halogen, and salts, e.g. acid or quaternary derivatives, thereof. These compositions are useful in topical or transdermal applications of the physiologically-active agent.

  这项发明提供了用于增强生理活性剂穿透皮肤或黏膜膜并在体内组织中保留这些剂量的组合物，所述组合物包括生理活性剂和由一般式##STR1##表示的化合物的有效量，其中X可以代表硫、氧或氮；a和b可以是0或1，c可以是0、1或2，但当X为氧时，a、b和c都为0，当X为氮时，c为0，a或b中只有一个为1，当X为硫时，a和b都为0；A是具有0到2个双键的支链或直链的二价脂肪族基；R'选自H、具有1到4个碳原子的低烷基基团、苯基、低烷基或卤代苯基、乙酰胺基、卤素、哌啶基、低烷基或卤代哌啶基、羰基醇酯、羧酰胺和烷酰；R为氢或具有1到4个碳原子的低烷基基团，##STR2##其中R"为H或卤素，以及其盐，例如酸性或季铵衍生物。这些组合物在生理活性剂的局部或经皮应用中是有用的。
• FILM FORMING COATING COMPOSITIONS CONTAINING CARBOXAMIDE COALESCING SOLVENTS AND METHODS OF USE
  申请人：Luebke Gary

  公开号：US20130143986A1

  公开（公告）日：2013-06-06

  A film may be formed from film forming compositions which comprise at least one carboxamide based coalescing solvent. These coalescing solvents impart equivalent or improved wet-scrub resistance, block resistance, gloss, dirt pick-up resistance and leveling characteristics to the films on a substrate, without contributing to total VOC levels, when replacing conventional coalescing solvents. The present invention also includes a method for forming a film comprising applying a film forming composition comprising polyunsaturated reactive carboxamides to a substrate and curing the film under ambient conditions. The coalescing carboxamide solvents are suitable for paint, latex based caulk, adhesives and floor care applications.

  可以使用至少一种基于羧酰胺的共溶剂来制备膜形成组合物，从而形成一种电影。当取代传统的共溶剂时，这些共溶剂可以赋予膜在基材上等效或改善的耐湿擦洗性、阻塞性、光泽度、防尘性和平整特性，而不会对总挥发性有所贡献。本发明还包括一种方法，用于形成膜，包括将含有多不饱和反应性羧酰胺的膜形成组合物涂覆在基材上，并在环境条件下固化膜。这些共溶剂适用于涂料、乳胶基密封胶、粘合剂和地面保养应用。