3,6,9,12,15,18,21,24,27,30,33,36-十二氧杂四十八烷-1-醇 | 3056-00-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,6,9,12,15,18,21,24,27,30,33,36-十二氧杂四十八烷-1-醇
• 中文别名: 甲基2-乙基己酸酯
• 英文名称: laureth-12
• 英文别名: Dodecaethylenglykol-mono-n-dodecylether；Dodekaaethylenglykol-monododecylaether；35-dodecyloxy-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-pentatriacontan-1-ol；3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatetracontan-1-ol；Rewopal 12；2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• CAS: 3056-00-6
• 化学式: C₃₆H₇₄O₁₃
• 分子量: 714.976
• InChiKey: WMPGRAUYWYBJKX-UHFFFAOYSA-N

物化性质

• 沸点：
  700.8±55.0 °C(Predicted)
• 密度：
  1.026±0.06 g/cm3(Predicted)
• LogP：
  2.324 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  49
• 可旋转键数：
  46
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  131
• 氢给体数：
  1
• 氢受体数：
  13

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  3,6,9,12,15,18,21,24,27,30,33,36-十二氧杂四十八烷-1-醇 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 0.5h， 以96%的产率得到
  参考文献：
  名称：

  Application of Monodisperse PEGs in Pharmaceutics: Monodisperse Polidocanols

  摘要：

  Polydisperse PEGs are ubiquitously used in pharmaceutical industry and biomedical research. However, the monodispersity in PEGs may play a role in the development of safe and effective PEGylated small molecular drugs. Here, to avoid the polydispersity in polidocanol, the active ingredient in a clinically used drug, a macro cyclic sulfate-based strategy for the efficient and scalable synthesis of monodisperse polidocanols, their sulfates, and their methylated derivatives, was developed. TLC and HPLC analysis indicated a complex mixture in regular polidocanol and high purifies in monodisperse polidocanols and their derivatives. Assay on HUVEC, L929, and HePG2. cells showed-that monodisperse polidocanols have much higher cytotoxicity and safety than that of regular polidocanol. It was found that the monodispersity of PEGs in polidocanols is crucial for achieving the optimal therapeutic results. Therefore, based on this case study, it would be beneficial to optimize PEGylated small molecular drugs with monodisperse PEGs in pharmaceutical research and development.

  DOI：

  10.1021/acs.molpharmaceut.7b00496
• 作为产物：
  描述：

  六乙二醇单十二醚 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 5.0h， 生成 3,6,9,12,15,18,21,24,27,30,33,36-十二氧杂四十八烷-1-醇
  参考文献：
  名称：

  Application of Monodisperse PEGs in Pharmaceutics: Monodisperse Polidocanols

  摘要：

  Polydisperse PEGs are ubiquitously used in pharmaceutical industry and biomedical research. However, the monodispersity in PEGs may play a role in the development of safe and effective PEGylated small molecular drugs. Here, to avoid the polydispersity in polidocanol, the active ingredient in a clinically used drug, a macro cyclic sulfate-based strategy for the efficient and scalable synthesis of monodisperse polidocanols, their sulfates, and their methylated derivatives, was developed. TLC and HPLC analysis indicated a complex mixture in regular polidocanol and high purifies in monodisperse polidocanols and their derivatives. Assay on HUVEC, L929, and HePG2. cells showed-that monodisperse polidocanols have much higher cytotoxicity and safety than that of regular polidocanol. It was found that the monodispersity of PEGs in polidocanols is crucial for achieving the optimal therapeutic results. Therefore, based on this case study, it would be beneficial to optimize PEGylated small molecular drugs with monodisperse PEGs in pharmaceutical research and development.

  DOI：

  10.1021/acs.molpharmaceut.7b00496

文献信息

• Non-ionic surface-active agents. Part VII. Solubility of benzoic acid in aqueous solutions of some monododecyl polyoxyalkanols
  作者：B. A. Mulley、A. J. Winfield

  DOI：10.1039/j19700001459

  日期：——

  the solubility of benzoic acid in aqueous solutions of polyoxyalkanols of general formula (C12H25·[OCH2·CH2]mOH)(I) where m= 2–12. The surfactants were prepared by methods giving materials of specific hydrophilic chain length and this was confirmed by gas chromatography. Lower members of the series (m= 2–6) had poor solubilising powers since addition of benzoic acid caused the aqueous solution to separate

  进一步研究了苯甲酸在通式为（C 12 H 25 ·[OCH 2 ·CH 2 ] m OH）（I）的聚氧链烷醇的水溶液中的溶解度，其中m = 2–12。通过提供具有特定亲水链长的材料的方法制备表面活性剂，并通过气相色谱法确认。该系列的下半部分（m = 2–6）的溶解能力较差，因为添加苯甲酸会导致水溶液分离成两个液相，这可能是因为系统的较低固溶温度被降至20°以下。上级成员（m= 7–12）更有效，并且在溶解度极限时分离出固体苯甲酸。将结果与用于描述非离子表面活性剂胶束溶液的溶剂性质的两个模型进行比较。结论是，与苯甲酸吸附在胶束内“核与胶囊”界面的分离模型相比，该分离模型更为令人满意。
• [EN] POLIDOCANOL WITH SINGLE MOLECULAR WEIGHT, AND USE THEREOF<br/>[FR] POLIDOCANOL À MASSE MOLÉCULAIRE UNIQUE ET UTILISATION ASSOCIÉE<br/>[ZH] 一种单一分子量的聚多卡醇及其应用
  申请人：[en]JENKEM TECHNOLOGY CO., LTD. (BEIJING);[zh]北京键凯科技股份有限公司

  公开号：WO2023227069A1

  公开（公告）日：2023-11-30

  本发明涉及单一分子量的聚多卡醇在在制备疾病治疗药物中的应用，所述的聚多卡醇可作为硬化剂和/或止血剂用于治疗，所述单一分子量的聚多卡醇由下述制备方法制备：将单一分子量的聚乙二醇与1-卤代十二烷反应，分离、纯化，得到单一分子量的聚多卡醇。本发明的聚多卡醇生产工艺稳定，质量可控，药效良好，毒副作用小。
• Structure of Monolayers of Monododecyl Dodecaethylene Glycol at the Air−Water Interface Studied by Neutron Reflection
  作者：J. R. Lu、T. J. Su、Z. X. Li、R. K. Thomas、E. J. Staples、I. Tucker、J. Penfold

  DOI：10.1021/jp971330h

  日期：1997.12.1

  We have determined the structure of a monolayer of dodecaethylene glycol monododecyl ether (C12E12) adsorbed at the air-water interface using specular neutron reflection in combination with deuterium labeling. The structure of the adsorbed monolayer was measured at its critical micellar concentration (cmc, 1.25 x 10(-4) M), 0.3cmc, 0.13cmc, and 0.033cmc. The reflection data were analyzed using the optical matrix method and the kinematic approximation, both of which gave structures identical within the limitations of the different models used. Fn the optical matric; method the monolayer was divided into two layers, the first layer consisting of the alkyl chain only, and the second layer consisting of the ethoxylated head, a fraction of the alkyl chain, and water. Significant intermixing of alkyl chain and ethoxylated headgroup was needed to account for the observed reflectivities. At the cmc about 35% of the alkyl chain seems to be incorporated into The headgroup region, and this increases to about 50% at the lowest concentration. The corresponding variation in the thickness of the alkyl chain layer was from 9 to 6 +/- 2 Angstrom and that of the head region from 22 to 20 +/- 2 Angstrom. The distances between the centers of the alkyl chain and solvent distributions were determined by the more direct kinematic method and the values were found to be 13, 11, 10, and 7.5 +/- 2 Angstrom for the four concentrations studied. The total thicknesses of the dodecyl chain and the ethoxylate groups were extracted from a simultaneous analysis of three reflectivity profiles from different isotopic compositions at a given surfactant concentration. The values of the two thicknesses were found to be 15.0, 13.0, 12.5, and 12.0 +/- 2 Angstrom for the dodecyl chain and 21, 18, 17, and 17 +/- 4 Angstrom for the ethoxylate group at the four concentrations. Comparison of these values with previous work on C12En with shorter ethylene glycol chains shows that the distributions of the dodecyl chain are similar to those with smaller n, but the extent of mixing between the allyl chain and the ethoxylate group increases with n.
• TITANIUM DIOXIDE PIGMENT AND MANUFACTURING METHOD
  申请人：Tronox LLC

  公开号：EP2969958B1

  公开（公告）日：2020-09-30
• US20140275442A1
  申请人：——

  公开号：US20140275442A1

  公开（公告）日：2014-09-18