1,3-bis(1-{[2-hydroxy-2-(3,4-dimethylbenzoyl)cyclohexyl]carbonyl}piperidin-4-yl)propane | 1071601-93-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1,3-bis(1-{[2-hydroxy-2-(3,4-dimethylbenzoyl)cyclohexyl]carbonyl}piperidin-4-yl)propane
• 英文别名: [4-[3-[1-[2-(3,4-Dimethylbenzoyl)-2-hydroxycyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-(3,4-dimethylbenzoyl)-2-hydroxycyclohexyl]methanone
• CAS: 1071601-93-8
• 化学式: C₄₅H₆₂N₂O₆
• 分子量: 726.997
• InChiKey: XBAYNSTUYJQOPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  53
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• ALPHA-HYDROXYKETONES
  申请人：Dietliker Kurt

  公开号：US20100104979A1

  公开（公告）日：2010-04-29

  Compounds of the Formula (I) wherein x is an integer from 1-4; p is an integer from 1-3; q is an integer from 0-3; Ar is phenyl, naphthyl, anthryl or phenanthryl each of which optionally is substituted by one or more Cl, CN, OR 5 , C 3 -C 5 alkenyl or C 1 -C 6 alkyl which optionally is substituted by one or more OR 6 , COOR or halogen; R 1 if x is 1, is OR S , O—X + , NR 8 R 9 , C 1 -C 20 alkyl optionally substituted by one or more COOR 10 , or is C 2 -C 20 alkyl interrupted by one ore more O, or is C 2 -C 5 alkenyl or phenyl-C 1 -C 4 alkyl; R 1 if x is 2, is for example C 1 -C 20 alkylene; R 1 if x is 3, is for example a tri-valent radical; R 1 if x is 4, is for example a tetravalent radical; R 2 and R 3 are hydrogen or C 1 -C 8 alkyl, or R 2 and R 3 together are O, C 1 -C 3 alkylene or CH═CH; R 4 is C 1 -C 4 alkyl; R 5 , R 6 , R 7 , R 8 , R 9 and R 10 are for example hydrogen or C 1 -C 4 alkyl; and X is a x-valent cationic counter ion; are in particular suitable as photoinitiators for the curing with UV-A light (320-450 nm).

  化合物的公式（I），其中x是1-4之间的整数；p是1-3之间的整数；q是0-3之间的整数；Ar是苯基，萘基，蒽基或苊基，每个都可以选择性地被一个或多个Cl，CN，OR5，C3-C5烯基或C1-C6烷基取代，这些烷基可以选择性地被一个或多个OR6，COOR或卤素取代；如果x为1，则R1为ORS，O-X+，NR8R9，C1-C20烷基，可以选择性地被一个或多个COOR10取代，或者是被一个或多个O中断的C2-C20烷基，或者是C2-C5烯基或苯基-C1-C4烷基；如果x为2，则R1例如为C1-C20烷基；如果x为3，则R1例如为三价基团；如果x为4，则R1例如为四价基团；R2和R3为氢或C1-C8烷基，或者R2和R3一起为O，C1-C3亚烷基或CH═CH；R4为C1-C4烷基；R5，R6，R7，R8，R9和R10例如为氢或C1-C4烷基；X为x价阳离子对离子。这些化合物特别适用于使用UV-A光（320-450 nm）进行固化的光引发剂。
• US9199934B2
  申请人：——

  公开号：US9199934B2

  公开（公告）日：2015-12-01