cetylmethylethanolamine | 7089-36-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: cetylmethylethanolamine
• 英文别名: N-Cetyl-N-methyl-2-aminoethanol；Methyl(2-hydroxyethyl)-n-hexadecylamine；N-(2-hydroxyethyl)-N-methyl-1-hexadecanamine；N-methyl-N-(β-hydroxyethyl)-n-hexadecylamine；(hydroxyethyl)(methyl)(hexadecyl)amine；N-n-hexadecyl-N-methyl-2-aminoethanol；2-[Hexadecyl(methyl)amino]ethan-1-ol；2-[hexadecyl(methyl)amino]ethanol
• CAS: 7089-36-3
• 化学式: C₁₉H₄₁NO
• 分子量: 299.541
• InChiKey: YICPXEDJPQHPQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  21
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cetylmethylethanolamine 在 氯化亚砜 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 6-(((2-(n-Hexadecylmethylamino)ethyl)thio)methyl)-2-(hydroxymethyl)pyridine
  参考文献：
  名称：

  Bolaform and classical cationic metallomicelles as catalysts of the cleavage of p-nitrophenyl picolinate

  摘要：

  DOI：

  10.1021/ja00183a034
• 作为产物：
  描述：

  氯代十六烷 在 potassium carbonate 、 potassium iodide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 96.0h， 生成 cetylmethylethanolamine
  参考文献：
  名称：

  A structure–activity study of spermicidal and anti-HIV properties of hydroxylated cationic surfactants

  摘要：

  The syntheses of 2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethylhexadecan-1-aminium chloride [1(16)Cl] and iodide [1(16)I], 2-hydroxy-N,N,N-trimethylhexadecan-1-aminium chloride (6), N-(2-hydroxyethyl)-N,N-dimethylhexadecan-1-aminium chloride (8), N,N-bis(2-hydroxyethyl)-N-methylhexadecan-1-aminium chloride (11), and 2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethyl-4-oxahexadecan-1-aminium chloride (14) are reported along with the critical micelle concentrations (cmcs), as measured by conductivity at 25degreesC, of 1(16)Cl, 1(16)1, 6, 8, 11, and N,N,N-trimethylhexadecan-1-aminium chloride (12). All compounds display spermicidal and virucidal activity. A plot of minimum effective concentration (MEC) in the Sander-Cramer spermicidal assay and cmc shows that 1(16)Cl and 6 have the best spermicidal activity and highest cmcs. Compounds 8, 11, and 1(16)Cl are the most active at 0.05 mg mL(-1) against cell-free and cell-associated virus. In conclusion, 1(16)Cl shows the best combination of dual activity against sperm and HIV; it is a promising candidate for further preclinical studies as a topical, contraceptive microbicide. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00245-6

文献信息

• Functional micellar catalysis. Part 2. Ester hydrolysis promoted by micelles containing the imidazole ring and the hydroxy-group
  作者：Umberto Tonellato

  DOI：10.1039/p29770000821

  日期：——

  effects on the hydrolysis of p-nitrophenyl esters due to micelles of quaternary ammonium salts containing the imidazole ring (Ia), the hydroxy-group (IIa), and both functions (IIIa) have been investigated in the pH range 7–9. Both functions have comparable pK values when at the head of cationic micelles and their basic forms are the effective nucleophilic sites. Bifunctional micelles made of (IIIa)

  在pH范围为7-9的条件下，研究了含有咪唑环（Ia），羟基（IIa）和两种官能团（IIIa）的季铵盐胶束对对硝基苯酯水解的催化作用。。这两个函数的p K值相当当位于阳离子胶束头部及其基本形式时，其值是有效的亲核位点。由（IIIa）或由混合（Ia）和（IIa）制成的双功能胶束比单功能胶束更好，其中（Ia）比（IIa）更有效。两个官能团之间的合作相互作用是分子间的，而不是分子内的。对于双功能胶束，提出了一种机制，该方法涉及将咪唑环酰化，然后在胶束相中将相对较快的酰基转移到羟基官能团上。
• Chiral lipophilic ligands. 2. Cu(II)-Mediated transport of α-amino acids across a bulk chloroform membrane
  作者：Paolo Scrimin、Paolo Tecilla、Umberto Tonellato

  DOI：10.1016/0040-4020(94)00935-n

  日期：1995.1

  indicate that the transport occurs via the formation of a ternary complex comprising Cu(II), the lipophilic diamine, and the amino acid. The lipophilicity of the amino acid is the main factor affecting the rate of transport using the same carrier, on the other hand, for the same amino acid the best carrier is that having affinity constant for Cu(II) close to that of the amino acid transported. The rate of

  合成了许多带有一个或两个氮原子长链烷烃链的非手性（1-4）和手性（5-10）1,2-二氨基乙烷衍生物，并已成功地测试了它们作为铜（II）和从缓冲的（pH = 5.5）源相到整个EDTA的接收溶液中的整个氯仿膜上的α-氨基酸。这是一种高度亲水的配体，对Cu（II）的亲和力比载体的亲和力大几个数量级，因此可以实现离子和氨基酸的有效“上坡”共转运。结果表明，运输是通过形成包含Cu（II），亲脂性二胺和氨基酸的三元络合物。氨基酸的亲脂性是影响使用相同载体的运输速率的主要因素，另一方面，对于相同氨基酸，最佳载体是对Cu（II）的亲和常数接近于氨基酸的亲和常数运输。传输速率显然受金属离子和氨基酸从源相到有机相的释放速率控制。在使用手性配体的天然氨基酸的共转运中观察到的对映选择性通常是适度的。在最佳情况下，对映选择性比（较快的对映体相对于较慢的对映体的初始传输速率）略高于2。
• Micellization of Pentanediyl-1,5-bis(hydroxyethylmethyl hexadecylammonium Bromide) as a Cationic Gemini Surfactant in Aqueous Solutions: Investigation Using Conductometry and Fluorescence Techniques
  作者：R. Zarganian、A. K. Bordbar、R. Amiri、M. Tamannaei、A. R. Khosropour、I. Mohammadpoor-Baltork

  DOI：10.1007/s10953-011-9694-2

  日期：2011.6

  Pentanediyl-1,5-bis (hydroxyethylmethylhexadecylammonium bromide) was synthesized and characterized as a type of novel gemini cationic surfactant. Its solution properties were determined at various temperatures by conductivity measurements and the fluorescence quenching technique. The CMC increased in the range of 1.85 to 2.77 μmol⋅L−1 as the temperature increased. The aggregation number was determined at various concentrations of NaBr solutions by the fluorescence quenching of pyrene. The thermodynamic parameters of micellization were determined using the mass law equation and the values of ΔG °, ΔH °and ΔS ° were determined for the micellization process.

  合成了一种新型双子阳离子表面活性剂，并对其进行了表征。通过电导率和荧光淬灭技术，在不同温度下测定其溶液性质。随着温度升高，CMC在1.85至2.77 μmol⋅L−1的范围内增加。通过芘的荧光淬灭，在不同浓度的NaBr溶液中测定聚集数。使用质量定律方程确定胶束化的热力学参数，并确定胶束化过程的ΔG°、ΔH°和ΔS°值。
• Crystalline polyolefin composition
  申请人：Chisso Corporation

  公开号：EP0416321A1

  公开（公告）日：1991-03-13

  A crystalline polyolefin composition which provides molded articles having improved stiffness characteristics is disclosed, comprising 100 parts by weight of a crystalline polyolefin, (A) from 0.001 to 1 part by weight of a fluorophosphite compound represented by formula (I): wherein R represents an alkylidene group having from 1 to 4 carbon atoms or a sulfur atom; Ar1 and Ar2, which may be the same or different, each represents an alkylarylene group or a cycloalkylarylene group; and n represents 0 or 1, and (B) from 0.001 to 1 part by weight of at least one compound selected from the group consisting of (1) an aliphatic monocarboxylic acid salt with lithium or sodium, (2) a dithiocarbamic acid salt with lithium, sodium or potassium, (3) a 2-mercaptobenzothiazole salt with lithium, sodium or potassium, (4) a 2-mercaptobenzimidazole salt with lithium, sodium or potassium and (5) a benzotriazole salt with lithium, sodium or potassium. A crystalline polyolefin composition which provides molded articles having improved stiffness charateristics is also disclosed, comprising 100 parts by weight of a crystalline polyolefin, (A) from 0.001 to 1 part by weight of a fluorophosphite compound represented by formula (I) shown above, (B ) from 0.001 to 1 part by weight of at least one compound selected from the group consisting of (1) an aliphatic monocarboxylic acid salt with potassium, strontium or barium, (2) a hydroxy-higher fatty acid salt with potassium, strontium or barium, (3) an aliphatic polycarboxylic acid salt with lithium, sodium, potassium, strontium or barium, (4) a salt of an aliphatic hydroxy acid having form 2 to 6 carbon atoms with lithium, sodium, potassium, magnesium, strontium or barium, (5) an aromatic carboxylic acid salt with lithium, sodium, strontium, barium or aluminum, (6) a glutamic acid salt with lithium, sodium, potassium, strontium or barium, (7) an aliphatic phosphoric acid salt with sodium, potassium, calcium, strontium or barium, (8) a lithium, sodium, potassium or barium salt of a cyclic phosphorus compound represented by formula (II): wherein Ar3 and Ar4, which may be the same or different, each represents an arylene group, an alkylarylene group, a cycloalkylarylene group, an arylarylene group or an aralkylarylene group; M represents lithium, sodium, potassium or barium; and m represents an atomic valence of M, (9) magnesium or aluminum hydroxide, (10) magnesium oxide, (11) magnesium or calcium carbonate and (12) hydrotalcite, and (C) from 0.01 to 1 part by weight of an aliphatic amine.

  本发明公开了一种结晶聚烯烃组合物，该组合物可提供具有改进的刚度特性的模塑制品，该组合物包括按重量计100份的结晶聚烯烃、(A)按重量计0.001至1份的由式(I)代表的亚磷酸氟化合物： 其中 R 代表具有 1 至 4 个碳原子的亚烷基或硫原子；Ar1 和 Ar2 可以相同或不同，各自代表烷基芳基或环烷基芳基；n 代表 0 或 1，以及 (B) 0.(1) 锂或钠的脂肪族一羧酸盐，(2) 锂、钠或钾的二硫代氨基甲酸盐、(3) 锂、钠或钾的 2-巯基苯并噻唑盐， (4) 锂、钠或钾的 2-巯基苯并咪唑盐， (5) 锂、钠或钾的苯并三唑盐。 本发明还公开了一种结晶聚烯烃组合物，该组合物可提供具有改进的刚度特性的模塑制品，其成分包括 100 份（重量）结晶聚烯烃、(A) 0.001 至 1 份（重量）由上文式(I)代表的亚磷酸氟化合物、(B ) 0.(1)钾、锶或钡的脂肪族一羧酸盐；(2)钾、锶或钡的羟基高级脂肪酸盐；(3)锂、钠、钾、锶或钡的脂肪族多羧酸盐；(4)锂、钠、钾、镁、锶或钡的具有 2 至 6 个碳原子的脂肪族羟基酸盐、(5) 锂、钠、锶、钡或铝的芳香族羧酸盐； (6) 锂、钠、钾、锶或钡的谷氨酸盐、(7) 含有钠、钾、钙、锶或钡的脂肪族磷酸盐， (8) 由式（II）代表的环磷化合物的锂、钠、钾或钡盐： 其中 Ar3 和 Ar4 可以相同或不同，各自代表芳基、烷芳基、环烷芳基、芳基芳基或芳基芳基；M 代表锂、钠、钾或钡；m 代表 M 的原子价，(9) 氢氧化镁或铝，(10) 氧化镁，(11) 碳酸镁或碳酸钙和 (12) 水滑石，以及 (C) 0.01至1份重量的脂肪族胺。
• OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME
  申请人：CHISSO CORPORATION

  公开号：EP0856526A1

  公开（公告）日：1998-08-05

  An olefin (co-)polymer composition including 0.01 to 5.0 weight parts of high molecular weight polyethylene which is an ethylene homopolymer or an ethylene-olefin copolymer containing 50 weight % or more of an ethylene polymerization unit; and 100 weight parts of an olefin (co-)polymer other than the high molecular weight polyethylene, wherein said high molecular weight polyethylene has an intrinsic viscosity [ηE] of 15 to 100 dl/g measured in tetralin at 135°C or more, and said high molecular weight polyethylene exists as dispersed fine particles having a numerical average particle size of 1 to 5000 nm.

  一种烯烃（共）聚合物组合物，包括 0.01 至 5.0 重量份的高分子量聚乙烯，它是乙烯均聚物或乙烯-烯烃共聚物，含有 50 重量 % 或更多的乙烯聚合单元；和 100 重量份除高分子量聚乙烯以外的烯烃（共）聚合物，其中所述高分子 聚乙烯在 135℃或更高温度下在四萘中测得的固有粘度[ηE]为 15 至 100 分升/克，且所述高分子聚乙烯以分散的细颗粒形式存在，其数值平均粒径为 1 至 5000 纳米。