3-chloro-propionic acid 9-oxo-9H-thioxanthen-2-yl ester | 1159136-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 英文名称: 3-chloro-propionic acid 9-oxo-9H-thioxanthen-2-yl ester
• 英文别名: (9-oxothioxanthen-2-yl) 3-chloropropanoate
• CAS: 1159136-33-0
• 化学式: C₁₆H₁₁ClO₃S
• 分子量: 318.781
• InChiKey: NZKYTECWCFNNKK-UHFFFAOYSA-N

物化性质

• 沸点：
  505.5±50.0 °C(predicted)
• 密度：
  1.400±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-羟基-9H-噻吨-9-酮 、 3-氯丙酰氯 在 吡啶 作用下， 以 丙酮 为溶剂， 反应 5.0h， 以6%的产率得到3-chloro-propionic acid 9-oxo-9H-thioxanthen-2-yl ester
  参考文献：
  名称：

  Preparation method of copolymerizable photoinitiators

  摘要：

  根据公式（I），制备（甲基）丙烯酸光引发剂的中间体，其中：R1选择自氢和甲基；A代表包含至少一个光引发基团的基团；L代表包含至少一个碳原子的n+o价键合基团；n和o各自独立地表示1至4之间的整数；p等于0或1；X代表选择自Cl、Br、I和R2SO3的基团；R2代表选择自烷基、烯基、炔基、烷芳基、芳基和杂环芳基的可选择取代基团。还公开了一种通过从公式（I）中间体中β-消除HX制备（甲基）丙烯酸光引发剂的方法。

  公开号：

  EP2065362A1

文献信息

• PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS
  申请人：Agfa Graphics NV

  公开号：US20140024840A1

  公开（公告）日：2014-01-23

  An intermediate for preparing (meth)acrylated photoinitiators according to Formula (I): wherein: R1 is selected from the group consisting of hydrogen and a methyl group; A represents a group including at least one photoinitiating moiety; L represents a n+o-valent linking group including at least one carbon atom; n and o each independently represent an integer from 1 to 4; p is equal to 0 or 1; X represents a group selected from the group consisting of Cl, Br, I, and R 2 SO 3 ; and R 2 represents an optionally substituted group selected from the group consisting of an alkyl group, an alkenyl group, an alkynyl group, an alkaryl group, an aralkyl group, an aryl group and a heteroaryl group. Also, a method for the preparation of (meth)acrylated photoinitiators by β-elimination of HX from the intermediate according to Formula (I).

  根据公式（I）制备（甲基）丙烯酰基光引发剂的中间体，其中：R1选自氢原子和甲基基团组成的群；A表示至少包括一个光引发基团的群；L表示包括至少一个碳原子的n+o价键合基团；n和o各自独立地表示1至4的整数；p等于0或1；X表示选自Cl、Br、I和R2SO3的群；R2表示选自一个烷基、烯基、炔基、烷基芳基、芳基烷基、芳基和杂芳基的可选取代基团的群。此外，通过从公式（I）中间体中β-消除HX的方法制备（甲基）丙烯酰基光引发剂。
• US8664431B2
  申请人：——

  公开号：US8664431B2

  公开（公告）日：2014-03-04
• US8791289B2
  申请人：——

  公开号：US8791289B2

  公开（公告）日：2014-07-29
• [EN] PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE PHOTO-INITIATEURS COPOLYMÉRISABLES
  申请人：AGFA GRAPHICS NV

  公开号：WO2009068590A1

  公开（公告）日：2009-06-04

  An intermediate for preparing (meth)acrylated photoinitiators according to Formula (I): wherein: R1 is selected from the group consisting of hydrogen and a methyl group; A represents a group comprising at least one photoinitiating moiety selected from the group consisting of benzil ketals, α,α-dialkoxyacetophenones, α-hydroxyalkylphenones, α-aminoalkylphenones, acylphosphine oxides, bis- acylphosphine oxides, acylphosphine sulfides, α-haloketones, α-halosulfones, phenylglyoxalates, benzophenones, thioxanthones, and 1,2-diketones; L represents a n+o-valent linking group comprising at least one carbon atom; n and o each independently represent an integer from 1 to 4; p is equal to O or 1; X represents a group selected from the group consisting of Cl, Br, I and R2SO3; and R2 represents an optionally substituted group selected from the group consisting of an alkyl group, an alkenyl group, an alkynyl group, an alkaryl group, an aralkyl group, an aryl group and a heteroaryl group; A method for the preparation of (meth)acrylated photoinitiators by β-elimination of HX from the intermediate according to Formula (I) is also disclosed.