6-[3-benzyloxy-2-(6-hydroxyhexoxy)propoxy]hexan-1-ol | 518012-59-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 6-[3-benzyloxy-2-(6-hydroxyhexoxy)propoxy]hexan-1-ol
• 英文别名: 6-[2-(6-Hydroxyhexoxy)-3-phenylmethoxypropoxy]hexan-1-ol
• CAS: 518012-59-4
• 化学式: C₂₂H₃₈O₅
• 分子量: 382.541
• InChiKey: KBNAYKSOUNUPNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  68.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-[3-benzyloxy-2-(6-hydroxyhexoxy)propoxy]hexan-1-ol 在 4-二甲氨基吡啶 、 sodium hypochlorite 、 sodium chlorite 、 2,2,6,6-四甲基哌啶氧化物 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 22.0h， 生成 1-hexylnonyl 6-[3-benzyloxy-2-[6-(1-hexylnonoxy)-6-oxo-hexoxy]propoxy]hexanoate
  参考文献：
  名称：

  [EN] LIPIDIC COMPOUNDS, AND USES THEREOF
  [FR] COMPOSÉS LIPIDIQUES ET LEURS UTILISATIONS

  摘要：

  The disclosure relates to lipidic compounds of formula (I): A-(CH2)n-CX-B-Z-R1 (I) wherein R1 represents a lipophilic or hydrophobic tail-group, wherein R1 is an optionally substituted, branched, saturated or unsaturated, C10to C55hydrocarbon radical, and which hydrocarbon skeleton that is optionally interrupted by one or several atoms of oxygen or nitrogen and/or one or several moiety –(C=O)-,-O-(C=O)- or –(C=O)-O- and which one nitrogen atom, if present in the skeleton, can be linked, directly or not, to said Z radical; Z is a spacer arm; B represents O or NH; X is O or S; n is 0, 1, 2, 3, 4, 5 or 6; and A represents (i) R2R3N-, (ii) NR2R3-Alk-Y- in which Y is O or N, Alk is an alkylene moiety in C2to C6and R2 and R3 represent independently of each other a linear or branched (C1-C6) alkyl group, or (iii) a 4- to 8-membered saturated heterocyclic radical comprising 3 to 7 carbon atoms and 1 or 2 nitrogen atoms, said 4- to 8-membered saturated heterocyclic radical being linked to the rest of the molecule by a carbon atom or a nitrogen atom and being optionally substituted by 1 to 4 substituents, independently of each other, selected from a linear or branched (C1-C6) alkyl group; or one of its pharmaceutically acceptable salts thereof; and with said compound that is in all the possible racemic, enantiomeric and diastereoisomeric isomer forms.

  公开号：

  WO2023135305A1
• 作为产物：
  描述：

  2-[6-[1-(benzyloxymethyl)-2-(6-tetrahydropyran-2-yloxyhexoxy)ethoxy]hexoxy]tetrahydropyran 在 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以91.6%的产率得到6-[3-benzyloxy-2-(6-hydroxyhexoxy)propoxy]hexan-1-ol
  参考文献：
  名称：

  [EN] CLEAVABLE LIPIDIC COMPOUNDS, COMPOSITIONS CONTAINING THEREOF, AND USES THEREOF
  [FR] COMPOSÉS LIPIDIQUES CLIVABLES, COMPOSITIONS LES CONTENANT ET UTILISATIONS ASSOCIÉES

  摘要：

  该披露涉及新型脂质化合物，制造含有脂质纳米颗粒（LNPs）的方法，含有脂质纳米颗粒（LNPs），以及将LNPs用于传递核酸。所述的脂质化合物是一种可切割的脂质化合物，包括至少一个式（I）的末端基团：Y-(CHR)n-Z-(CHR')p-Q *（I）其中：- *是末端连接的，直接或间接连接到一个C10至C55的亲脂性或疏水性尾基团；- Y是在甲基，甲氧基，三氟甲基，咪唑基中选择的基团，或是一个氢原子；- Z是一个基团-NH-CH2-CO-O-**或一个基团-CR''(NH2)-CO-O-**，其中**是最接近Q的末端，R''在氢原子，甲基基团和三氟甲基基团中选择；- Q是一个基团-NH-CH2-CO-O-***或一个基团-CR''(NH2)-CO-O-***，其中R''在氢原子，甲基基团和三氟甲基基团中选择，***是直接或间接连接到所述亲脂性或疏水性尾基团的末端；- R和R'是彼此独立的氢原子，甲基基团或三氟甲基基团；- n和p是彼此独立的0、1或2；或其药用可接受的盐，所述化合物以所有可能的外消旋、对映异构体和顄对映异构体形式存在。

  公开号：

  WO2022013439A1

文献信息

• Compounds for use as surfactants
  申请人：Looker Edgar Brian

  公开号：US20050048024A1

  公开（公告）日：2005-03-03

  Compounds of formula (I): or salts or solvate thereof, wherein: n and N independently represent an integer 2 to 12; m 1 and m 2 independently represent an integer 1 to 15; and R 1 and R 2 independently represent —(CO) x C 1-9 alkyl or —(CO) x C 1-9 fluoroalkyl, which fluoroalkyl moiety contains at least 1 fluorine atom and not more than 3 consecutive perfluorocarbon atoms wherein x represents 0 or 1, as well as pharmaceutical formulations containing such compounds and processes for the manufacture of such compounds are disclosed. Intermediates of such compounds and processes for the manufacture of such intermediates are also disclosed.

  公式（I）的化合物：或其盐或溶剂，其中：n和N分别表示整数2至12；m1和m2分别表示整数1至15；R1和R2分别表示—（CO）xC1-9烷基或—（CO）xC1-9氟烷基，其中氟烷基含有至少1个氟原子且不超过3个连续的全氟碳原子，其中x表示0或1。还公开了含有这种化合物的制药配方和制造这种化合物的过程。还公开了这种化合物的中间体和制造这种中间体的过程。
• COMPOUNDS FOR USE AS SURFACTANTS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1436007A2

  公开（公告）日：2004-07-14
• US7321059B2
  申请人：——

  公开号：US7321059B2

  公开（公告）日：2008-01-22
• [EN] COMPOUNDS FOR USE AS SURFACTANTS<br/>[FR] COMPOSES A UTILISER COMME TENSIOACTIFS
  申请人：GLAXO GROUP LTD

  公开号：WO2003035237A2

  公开（公告）日：2003-05-01

  There are provided according to the invention compounds of formula (I) or salts or solvate thereof, wherein:n and N independently represent an integer 2 to 12;m1 and m2 independently represent an integer 1 to 15; and R1 and R2 independently represent -(CO)xC1-9 alkyl or -(CO)xC1-9 fluoroalkyl, which fluoroalkyl moiety contains at least 1 fluorine atom and not more than 3 consecutive perfluorocarbon atoms wherein x represents 0 or 1. The invention includes uses of said compounds and processes for their preparation.