2-(hydroxymethyl)hexane-1,6-diol | 133532-71-5

• 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: 2-(hydroxymethyl)hexane-1,6-diol
• CAS: 133532-71-5
• 化学式: C₇H₁₆O₃
• 分子量: 148.202
• InChiKey: IVSFJTXTBRZCCK-UHFFFAOYSA-N

物化性质

• 沸点：
  323.9±22.0 °C(Predicted)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(hydroxymethyl)hexane-1,6-diol 在 咪唑 、 甲醇 、 碘 、 potassium carbonate 、 对甲苯磺酸 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 19.0h， 生成 2-(1-(((8R,9S,13S,14S,17S)-17-(3-((1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl)oxy)propoxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy)-3,18-dimethyl-7,14-dioxa-10,11-dithia-3,18-diazadocosan-22-yl)propane-1,3-diol
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES
  [FR] COMPOSÉS ET PROCÉDÉS POUR L'ADMINISTRATION TRANSMEMBRANAIRE DE MOLÉCULES

  摘要：

  这项发明提供了一种新颖的递送系统，用于跨越生物膜递送药物。它提供了包括该递送系统的新型化学结合物、合成该化合物的方法，以及利用该递送系统的方法等，用于将基因药物递送到组织和细胞中，包括体外、体外和体内，用于治疗各种医学疾病。

  公开号：

  WO2019130319A1
• 作为产物：
  描述：

  2-(4-(benzyloxy)butyl)propane-1,3-diol 在 10% Pd/C 、 氢气 作用下， 以98%的产率得到2-(hydroxymethyl)hexane-1,6-diol
  参考文献：
  名称：

  Aliphatic Hyperbranched Polycarbonates: Synthesis, Characterization, and Solubility in Supercritical Carbon Dioxide

  摘要：

  Recently much effort has been devoted to developing drug delivery systems based on macromolecules of three-dimensional structure. In addition to dendrimers which are widely studied, hyperbranched polymers are gaining more and more attention. Among numerous polymeric materials used in drug delivery systems, aliphatic polycarbonates are one of the most interesting ones due to biocompatibility, nontoxic degradation products, and the absence of autocatalytic effect during the degradation process. However, they show poor solubility in supercritical carbon dioxide. This paper describes the synthesis of 5-(4-hydroxybutyl)-1,3-dioxan-2-one and its application for preparation of hyperbranched aliphatic polycarbonates. Linear analogues of the poly(5-(4-hydroxybutyl)-1,3-dioxan-2-one) were prepared, too, and the structures were compared by means of C-13 NMR. Ring-opening polymerization of 5(4-hydroxybutyl)-1,3-dioxan-2-one led to polymers containing solely primary hydroxyl groups which were subsequently reacted with trifluoroacetic anhydride. The phase behavior of fluorinated polymer in supercritical carbon dioxide was explored as a function of concentration and temperature. Modified hyperbranched polycarbonate showed reasonably good solubility in carbon dioxide. It was shown that hyperbranched structure of a polymer facilitate solubility even though the carbonate structural units do not promote solubility in scCO(2).

  DOI：

  10.1021/ma3011153

文献信息

• Process for preparing polyol esters
  申请人：Adamzik Michael

  公开号：US20110087045A1

  公开（公告）日：2011-04-14

  The present invention relates to a process for preparing polyol esters by reacting polyols with linear or branched aliphatic monocarboxylic acids having 3 to 20 carbon atoms by partial recycling of the aliphatic monocarboxylic acid removed into the esterification reaction or into subsequent esterification batches.

  本发明涉及一种通过将多元醇与具有3至20个碳原子的线性或支链脂肪族一元羧酸反应，通过将从酯化反应中去除的脂肪族一元羧酸部分回收到酯化反应或随后的酯化批次中制备聚醇酯的方法。
• PROCESS FOR PREPARING POLYOL ESTERS
  申请人：Frey Guido D.

  公开号：US20120190883A1

  公开（公告）日：2012-07-26

  The present invention relates to a process for preparing polyol esters by reacting polyols with linear or branched aliphatic monocarbocxylic acids having 3 to 20 carbon atoms, the reaction taking place in the presence of a Lewis acid comprising at least one element from groups 4 to 14 of the Periodic Table of the Elements as catalyst, and in the presence of an adsorbent, the reaction product being subjected subsequently to a steam treatment.

  本发明涉及一种通过将多元醇与具有3至20个碳原子的直链或支链脂肪族单羧酸反应制备聚醇酯的方法，其中反应在存在作为催化剂的周期表元素4至14族中至少一个元素的路易斯酸和吸附剂的情况下进行，并且随后将反应产物进行蒸汽处理。
• Method for Producing Polyol Esters
  申请人：OXEA GmbH

  公开号：US20150344400A1

  公开（公告）日：2015-12-03

  A process for preparing polyol esters by reacting polyols with linear or branched aliphatic monocarboxylic acids having 3 to 20 carbon atoms, is characterized in that a mixture of the starting compounds is allowed to react in the presence of a Lewis acid containing at least one element of groups 4 to 14 of the periodic table of the elements as a catalyst and in the presence of an adsorbent with removal of the water formed, and then the crude ester obtained is aftertreated by adding a further adsorbent which is an acidic activated carbon having a pH of 1 to 6.5.

  通过将具有3至20个碳原子的线性或支链脂肪族一元羧酸与多元醇反应来制备聚醇酯的方法，其特征在于允许起始化合物的混合物在含有周期表元素4至14族中至少一个元素的路易斯酸存在下反应，并在吸附剂的存在下去除生成的水，然后通过添加具有pH值为1至6.5的酸性活性碳的进一步吸附剂对得到的粗酯进行后处理。
• Method for Producing Isononanoic Acid Esters, Starting from 2-Ethyl Hexanol
  申请人：Oxea GmbH

  公开号：US20150158805A1

  公开（公告）日：2015-06-11

  A Process for preparing carboxylic esters of a mixture of structurally branched C9 monocarboxylic acids proceeding from 2-ethylhexanol is characterized in that (a) 2-ethylhexanol is dehydrated to an octene mixture in the presence of a catalyst; (b) the octene mixture obtained in step a) is reacted in the presence of a transition metal compound of group VIII of the periodic table of the elements with carbon monoxide and hydrogen to give a mixture of isomeric isononanals; (c) the mixture of isomeric isononanals obtained in step b) is oxidized to a mixture of structurally branched C9 monocarboxylic acids; and (d) the mixture of structurally branched C9 monocarboxylic acids obtained in step c) is reacted with alcohols to give carboxylic esters.

  一种制备从2-乙基己醇出发的结构分支C9单羧酸酯混合物的方法，其特征在于 (a) 在催化剂存在下，将2-乙基己醇脱水成为辛烯混合物； (b) 在步骤a)中获得的辛烯混合物在元素周期表第VIII族的过渡金属化合物存在下与一氧化碳和氢反应，得到异辛醛的混合物； (c) 在步骤b)中获得的异辛醛混合物被氧化成结构分支的C9单羧酸的混合物；以及 (d) 在步骤c)中获得的结构分支C9单羧酸混合物与醇反应，得到羧酸酯。
• [EN] TRIAZINE DERIVATIVES AS UV ABSORBERS<br/>[FR] DERIVES DE LA TRIAZINE UTILISES COMME ABSORBANTS U.V.
  申请人：CIBA SC HOLDING AG

  公开号：WO2004064797A1

  公开（公告）日：2004-08-05

  The present invention relates to new compounds of formula (I), wherein R1, R2, R3, R4, R5, R6, R7, and R8 independently from each other are hydrogen; C1-C18alkyl; C2-C18alkenyl; C5-C7,cycloalkyl; C1-C6alkylene-C5- C7,cycloalkyl; R9 is hydrogen; C1-C18alkyl; C2-C18alkenyl; C5-C7cycloalkyl; C1-C6alkylene-C5-C7cycloalkyl; C6-C10aryl; A is-S-; -O- or -NR10-, wherein R10 has the same meanings as R9; X is COOR11; CONR12R13; SO3,R14; or SO2NR15R16, wherein R11, R12,R13, R14,R15, and R16, have independently from each other the same meanings as R9; to their preparation and to their use as UV absorbers in cosmetic and pharmaceutical formulations.

  本发明涉及公式（I）的新化合物，其中R1、R2、R3、R4、R5、R6、R7和R8彼此独立地是氢；C1-C18烷基；C2-C18烯基；C5-C7环烷基；C1-C6烷基-C5-C7环烷基；R9是氢；C1-C18烷基；C2-C18烯基；C5-C7环烷基；C1-C6烷基-C5-C7环烷基；C6-C10芳基；A是-S-；-O-或-NR10-，其中R10具有与R9相同的含义；X是COOR11；CONR12R13；SO3R14；或SO2NR15R16，其中R11、R12、R13、R14、R15和R16彼此独立地具有与R9相同的含义；以及它们的制备和它们作为化妆品和药用配方中的紫外线吸收剂的用途。