3-[[4-(2,3-Dihydroxypropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 3-[[4-(2,3-Dihydroxypropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
• 英文别名: 3-[[4-(2,3-dihydroxypropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
• 化学式: C₁₅H₂₁N₅O₄
• 分子量: 335.36
• InChiKey: HPWVIOCNMRIEGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  144
• 氢给体数：
  6
• 氢受体数：
  9

文献信息

• Method for obtaining a functionalized triazine compound and the triazine compound obtained by said method
  申请人：Borealis Agrolinz Melamine GmbH

  公开号：EP2774922A1

  公开（公告）日：2014-09-10

  The present invention relates to a method for obtaining a triazine compound with at least one amino group comprising a an aliphatic moiety with at least two functional groups comprising the steps of a) providing at least one triazine compound of the general formulae (I) wherein - R1 and R2 mean independently from each other Q1 or a moiety of the formula R3-N-R4 or R5-N-R6 bound with its central nitrogen atom to the triazine ring of the structure of formula (I), whereat - Q1 means a linear or branched C1-C30-alkyl or a cyclic substituent in form of a C5-C20-cycloalkyl, a C5-C20-aryl, a C1-C20-alkylsubstituted C5-C20-aryl or an amide of a cyclic unsaturated carboxylic acid, whereat in each case one or multiple carbon atoms can be substituted by one or multiple oxygen atoms, sulphur atoms, substituted nitrogen atoms and/or by one or multiple groups of the type -C(O)O-,-OC(O)-,-C(O)- and/or -OC(O)O-, - R3, R4, R5 and R6 mean independently from each other H, linear or branched C1-C20-alkyl, C5-C20-cyclo alkyl, C5-C20-aryl, C1-C20-alkylsubstituted C5-C20-aryl,whereat in each case one or multiple carbon atoms can be substituted by one or multiple oxygen atoms, sulphur atoms and/or substituted nitrogen atoms and/or by one or multiple groups of the type -C(O)O-, -OC(O)-, -C(O)- and/or -OC(O) O- and/or can be functionalized by one or multiple hydroxyl groups and/or mercapto groups; and b) reacting said aminotriazine of the general formulae (I) with at least one primary amine of the general formulae (II)         R7NH2 wherein R7 is a linear or branched C3-C20-alkyl, C5-C20 cycloalkyl, C5-C20 aryl substituted C3-C20-alkyl, or C5-C20-aryl substituted C5-C20-cycloalkyl, C5-C20 aryl or C1-C20 alkylsubstituted C5-C20 aryl each comprising at least two functional groups, or a mixture of primary amines of the general formulae (II), wherein the at least two functional groups are not bound to the carbon atom carrying the primary amino group -NH2, and wherein the at least two functional groups are not bound to the same carbon atom, c) wherein the reaction takes place in the presence of at least one acidic catalyst. The present invention relates also to the compounds obtained by this method and their use.

  本发明涉及一种获得至少具有一个氨基的三嗪化合物的方法，其中该氨基包含至少两个功能基团的脂肪基，包括以下步骤：a) 提供至少一个通式（I）的三嗪化合物，其中- R1和R2分别独立地表示Q1或与其中心氮原子结合的通式（I）的三嗪环的结构中的R3-N-R4或R5-N-R6基团，其中- Q1表示线性或支链C1-C30烷基或以C5-C20环烷基，C5-C20芳基，C1-C20烷基取代的C5-C20芳基的酰胺的形式的环状取代基，在每种情况下，一个或多个碳原子可以被一个或多个氧原子，硫原子，取代的氮原子和/或一个或多个-C（O）O-，-OC（O）-，-C（O）-和/或-OC（O）O-类型的基团取代，- R3，R4，R5和R6独立地表示H，线性或支链C1-C20烷基，C5-C20环烷基，C5-C20芳基，C1-C20烷基取代的C5-C20芳基，在每种情况下，一个或多个碳原子可以被一个或多个氧原子，硫原子和/或取代的氮原子和/或一个或多个-C（O）O-，-OC（O）-，-C（O）-和/或-OC（O）O-类型的基团取代，或者可以被一个或多个羟基和/或巯基官能化；并且b)将通式（I）的氨基三嗪与至少一种通式（II）的主要胺反应，其中R7是线性或支链C3-C20烷基，C5-C20环烷基，C5-C20芳基取代的C3-C20烷基，或C5-C20芳基取代的C5-C20环烷基，C5-C20芳基或C1-C20烷基取代的C5-C20芳基，每种都包含至少两个功能基团，或通式（II）的主要胺混合物，其中至少两个功能基团未结合到带有主要氨基团-NH2的碳原子上，并且至少两个功能基团未结合到同一碳原子上，c)其中反应在至少一种酸性催化剂存在下进行。本发明还涉及通过该方法获得的化合物及其用途。