1-[N-乙基-6-(4-氟苯甲酰基)-9H-咔唑-3-乙酮 | 876907-97-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 1-[N-乙基-6-(4-氟苯甲酰基)-9H-咔唑-3-乙酮
• 英文名称: 1-[9-ethyl-6-(4-fluoro-benzoyl)-9H-carbazol-3-yl]-ethanone
• 英文别名: 1-(9-Ethyl-6-(4-fluorobenzoyl)-9H-carbazol-3-yl)ethanone；1-[9-ethyl-6-(4-fluorobenzoyl)carbazol-3-yl]ethanone
• CAS: 876907-97-0
• 化学式: C₂₃H₁₈FNO₂
• 分子量: 359.4
• InChiKey: PIIZBUAGGCPPSE-UHFFFAOYSA-N

物化性质

• 沸点：
  500.1±50.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  39.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-[N-乙基-6-(4-氟苯甲酰基)-9H-咔唑-3-乙酮 、 咔唑 在 potassium carbonate 、 caesium carbonate 作用下， 以 异丁酰胺 为溶剂， 反应 18.0h， 以44.6%的产率得到1-[6-(4-carbazol-9-yl-benzoyl)-9-ethyl-9H-carbazol-3-yl]-ethanone
  参考文献：
  名称：

  WO2007/62963

  摘要：

  公开号：
• 作为产物：
  描述：

  N-乙基咔唑 、 乙酰氯 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 1-[N-乙基-6-(4-氟苯甲酰基)-9H-咔唑-3-乙酮
  参考文献：
  名称：

  WO2007/62963

  摘要：

  公开号：

文献信息

• [EN] OXIME ESTER PHOTOINITIATORS<br/>[FR] PHOTO-INITIATEURS A BASE D'ESTER D'OXIME
  申请人：CIBA SC HOLDING AG

  公开号：WO2006018405A1

  公开（公告）日：2006-02-23

  Compounds of the formula (I), wherein R1, R2 and R10 independently of one another are C1-C20alkyl, phenyl, C1-C12alkylphenyl or phenyl-C1-C6alkyl; R3 and R4 independently of one another are hydrogen, C1-C20alkyl, NR6R7 or SR8, provided that at least one of R3 or R4 is NR6R7 or SR8; R5 is hydrogen or C1-C20alkyl; R6 and R7 independently of one another are C1-C20alkyl, or R6 and R7 together with the N-atom to which they are attached form a 5 or 6 membered ring, which optionally is interrupted by O, S or NR9 and which optionally additionally is substituted by one or more C1-C4alkyl; R8 is phenyl, biphenylyl, naphthyl, anthryl or phenanthryl, all of which optionally are substituted by one or more C1-C4alkyl; and R9 is hydrogen, C1-C20alkyl, C2-C4hydroxyalkyl or phenyl; exhibit an unexpectedly good performance in photopolymerization reactions.

  式(I)的化合物，其中R1、R2和R10各自独立地为C1-C20烷基、苯基、C1-C12烷基苯基或苯基-C1-C6烷基；R3和R4各自独立地为氢、C1-C20烷基、NR6R7或SR8，但至少其中之一为NR6R7或SR8；R5为氢或C1-C20烷基；R6和R7各自独立地为C1-C20烷基，或者R6和R7连同它们所连接的N原子形成一个5或6元环，该环可选地被O、S或NR9打断，并且该环可选地另外被一个或多个C1-C4烷基取代；R8为苯基、联苯基、萘基、蒽基或菲基，所有这些基团可选地被一个或多个C1-C4烷基取代；R9为氢、C1-C20烷基、C2-C4羟基烷基或苯基。这些化合物在光聚合反应中表现出意外的良好性能。
• Oxime Ester Photoinitiators
  申请人：Tanabe Junichi

  公开号：US20080096115A1

  公开（公告）日：2008-04-24

  Compounds of the formula (I), wherein R 1 , R 2 and R 10 independently of one another are C 1 -C 20 alkyl, phenyl, C 1 -C 12 alkylphenyl or phenyl-C 1 -C 6 alkyl; R 3 and R 4 independently of one another are hydrogen, C 1 -C 20 alkyl, NR 6 R 7 or SR 8 , provided that at least one of R 3 or R 4 is NR 6 R 7 or SR 8 ; R 5 is hydrogen or C 1 -C 20 alkyl; R 6 and R 7 independently of one another are C 1 -C 20 alkyl, or R 6 and R 7 together with the N-atom to which they are attached form a 5 or 6 membered ring, which optionally is interrupted by O, S or NR 9 and which optionally additionally is substituted by one or more C 1 -C 4 alkyl; R 8 is phenyl, biphenylyl, naphthyl, anthryl or phenanthryl, all of which optionally are substituted by one or more C 1 -C 4 alkyl; and R 9 is hydrogen, C 1 -C 20 alkyl, C 2 -C 4 hydroxyalkyl or phenyl; exhibit an unexpectedly good performance in photopolymerization reactions.

  化合物的公式（I），其中R1、R2和R10彼此独立地是C1-C20烷基、苯基、C1-C12烷基苯基或苯基-C1-C6烷基；R3和R4彼此独立地是氢、C1-C20烷基、NR6R7或SR8，但至少其中之一是NR6R7或SR8；R5是氢或C1-C20烷基；R6和R7彼此独立地是C1-C20烷基，或者R6和R7连同它们所连接的N原子形成一个5或6元环，该环可以被O、S或NR9中的一个或多个打断，也可以被一个或多个C1-C4烷基取代；R8是苯基、联苯基、萘基、蒽基或菲基，它们都可以选择性地被一个或多个C1-C4烷基取代；R9是氢、C1-C20烷基、C2-C4羟基烷基或苯基。这些化合物在光聚合反应中表现出意外的良好性能。
• Oxime ester photoinitiators
  申请人：Ciba Specialty Chemicals Corp.

  公开号：US07759043B2

  公开（公告）日：2010-07-20

  Compounds of the formula (I), wherein R1, R2 and R10 independently of one another are C1-C20alkyl, phenyl, C1-C12alkylphenyl or phenyl-C1-C6alkyl; R3 and R4 independently of one another are hydrogen, C1-C20alkyl, NR6R7 or SR8, provided that at least one of R3 or R4 is NR6R7 or SR8; R5 is hydrogen or C1-C20alkyl; R6 and R7 independently of one another are C1-C20alkyl, or R6 and R7 together with the N-atom to which they are attached form a 5 or 6 membered ring, which optionally is interrupted by O, S or NR9 and which optionally additionally is substituted by one or more C1-C4alkyl; R8 is phenyl, biphenylyl, naphthyl, anthryl or phenanthryl, all of which optionally are substituted by one or more C1-C4alkyl; and R9 is hydrogen, C1-C20alkyl, C2-C4hydroxyalkyl or phenyl; exhibit an unexpectedly good performance in photopolymerization reactions.

  公式（I）的化合物，其中R1、R2和R10独立地为C1-C20烷基、苯基、C1-C12烷基苯基或苯基-C1-C6烷基；R3和R4独立地为氢、C1-C20烷基、NR6R7或SR8，但至少其中之一为NR6R7或SR8；R5为氢或C1-C20烷基；R6和R7独立地为C1-C20烷基，或者R6和R7与它们连接的N原子一起形成一个5或6元环，该环可以被O、S或NR9中断，并且可以额外地被一个或多个C1-C4烷基取代；R8为苯基、联苯基、萘基、蒽基或菲基，所有这些基团均可以被一个或多个C1-C4烷基取代；R9为氢、C1-C20烷基、C2-C4羟基烷基或苯基。这些化合物在光聚合反应中表现出意外的良好性能。
• OXIME ESTER PHOTOINITIATORS
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP1778636A1

  公开（公告）日：2007-05-02
• US7759043B2
  申请人：——

  公开号：US7759043B2

  公开（公告）日：2010-07-20