2-(3,4-dimethyl-benzoyl)-2-hydroxy-cyclohexanecarboxylate (dipropyl)ammonium | 1071600-63-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3,4-dimethyl-benzoyl)-2-hydroxy-cyclohexanecarboxylate (dipropyl)ammonium
• 英文别名: 2-(3,4-Dimethyl-benzoyl)-2-hydroxy-cyclohexanecarboxylate dipropyl-ammonium；2-(3,4-dimethylbenzoyl)-2-hydroxycyclohexane-1-carboxylate;dipropylazanium
• CAS: 1071600-63-9
• 化学式: C₆H₁₅N*C₁₆H₂₀O₄
• 分子量: 377.524
• InChiKey: QZUNMVWBTIEDMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-hydroxy-2-(3,4-dimethylbenzoyl)cyclohexane-1-carboxylic acid 、 二正丙胺 以 丙酮 为溶剂， 反应 0.5h， 生成 2-(3,4-dimethyl-benzoyl)-2-hydroxy-cyclohexanecarboxylate (dipropyl)ammonium
  参考文献：
  名称：

  WO2008/122504

  摘要：

  公开号：

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。
• Alpha-hydroxyketones
  申请人：Dietliker Kurt

  公开号：US09199934B2

  公开（公告）日：2015-12-01

  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, OR5, C3-C5alkenyl or C1-C6alkyl which optionally is substituted by one or more OR6, COOR or halogen; R1 if x is 1, is OR7, O—X+, NR8R9, C1-C20alkyl optionally substituted by one or more COOR10, or is C2-C20alkyl interrupted by one ore more O, or is C2-C5alkenyl or phenyl-C1-C4alkyl; R1 if x is 2, is for example C1-C20alkylene; R1 if x is 3, is for example a tri-valent radical; R1 if x is 4, is for example a tetravalent radical; R2 and R3 are hydrogen or C1-C8alkyl, or R2 and R3 together are O, C1-C3alkylene or CH═CH; R4 is C1-C4alkyl; R5, R6, R7, R8, R9 and R10 are for example hydrogen or C1-C4alkyl; 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的整数；p是1-3的整数；q是0-3的整数；Ar是苯基、萘基、蒽基或菲基，其中每个基团可选地被一个或多个Cl、CN、OR5、C3-C5烯基或C1-C6烷基取代，这些基团可选地被一个或多个OR6、COOR或卤素取代；如果x为1，则R1为OR7、O—X+、NR8R9、C1-C20烷基（可选地被一个或多个COOR10取代）或由一个或多个O中断的C2-C20烷基，或为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R2和R3在一起为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通过UV-A光（320-450nm）固化的光引发剂。
• US9199934B2
  申请人：——

  公开号：US9199934B2

  公开（公告）日：2015-12-01
• [EN] ALPHA-HYDROXYKETONES<br/>[FR] ALPHA-HYDROXYCÉTONES
  申请人：CIBA HOLDING INC

  公开号：WO2008122504A1

  公开（公告）日：2008-10-16

  [EN] Compounds of theFormula (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, OR₅, C₃-C₅alkenyl or C₁-C₆alkyl which optionally is substituted by one or more OR₆, COOR or halogen; R₁ifx is 1, is OR₇, O- X⁺, NR₈R₉, C₁-C₂₀alkyl optionally substituted by one or more COOR₁₀, or is C₂-C₂₀alkyl interrupted by one ore more O, or is C₂-C₅alkenyl or phenyl-C₁-C₄alkyl; R₁ifx is 2, is for example C₁-C₂₀alkylene; R₁ifx is 3, is for example a tri- valent radical; R₁if x is 4, is for example a tetravalent radical; R₂and R₃are hydrogen or C₁- C₈alkyl, or R₂and R₃together are O, C₁-C₃alkylene or CH=CH; R₄ is C₁-C₄alkyl; R₅, R₆, R₇, R₈, R₉ and R₁₀are for example hydrogen or C₁-C₄alkyl; and X is a x-valent cationic counter ion; are in particular suitable as photoinitiators forthe curing with UV-A light (320-450 nm).
  [FR] La présente invention concerne des composés de formule (I), dans laquelle: x est un nombre entier de 1 à 4; p est un nombre entier de 1 à 3; q est un nombre entier de 0 à 3; Ar est phényle, naphtyle, anthryle ou phénanthryle, chacun étant éventuellement substitué par un ou des Cl, CN, OR₅, alcényle C₃-C₅ ou alkyle C₁-C₆ éventuellement substitué par un ou des OR₆, COOR ou halogène; R₁ si x est 1, est OR₇, O- X⁺, NR₈R₉, alkyle C₁-C₂₀ éventuellement substitué par un ou des COOR₁₀, ou est alkyle C₂-C₂₀ interrompu par un ou des O, ou est alcényle C₂-C₅ ou phényle-C₁-C₄alkyle; R₁ si x est 2, est par exemple alkylène C₁-C₂₀ ; R₁ si x est 3, est par exemple un radical trivalent ; R₁ si x est 4, est par exemple un radical tétravalent; R₂ et R₃ sont hydrogène ou alkyle C₁- C₈, ou R₂ et R₃ ensemble sont O, alkylène C₁-C₃ ou CH=CH; R₄ est alkyle C₁-C₄ ; R₅, R₆, R₇, R₈, R₉ et R₁₀ sont par exemple hydrogène ou alkyle C₁-C₄; et X est un contre ion cationique x-valent. Lesdits composés sont notamment appropriés en tant que photoinitiateurs pour le durcissement par la lumière ultraviolette A (320-450 nm).