9-氧代噻吩-4-羧酸乙酯 | 101278-23-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 中文名称: 9-氧代噻吩-4-羧酸乙酯
• 中文别名: 9H-硫代占吨-4-羧酸,9-羰基-,乙基酯
• 英文名称: 9-oxo-thioxanthene-4-carboxylic acid ethyl ester
• 英文别名: 9-Oxo-thioxanthen-4-carbonsaeure-aethylester；Ethyl 9-oxo-9H-thioxanthene-4-carboxylate；ethyl 9-oxothioxanthene-4-carboxylate
• CAS: 101278-23-3
• 化学式: C₁₆H₁₂O₃S
• 分子量: 284.335
• InChiKey: LDNXCQVBZYGVHI-UHFFFAOYSA-N

物化性质

• 熔点：
  158-159 °C(Solv: ethanol (64-17-5))
• 沸点：
  460.1±44.0 °C(Predicted)
• 密度：
  1.313±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  3
• 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：

  9-oxothioxanthene-4-carboxylic acid 在 氯化亚砜 作用下， 生成 9-氧代噻吩-4-羧酸乙酯
  参考文献：
  名称：

  Gialdi et al., Farmaco, Edizione Scientifica, 1959, vol. 14, p. 829,840

  摘要：

  DOI：

文献信息

• THIOXANTHONE-4-CARBOXYLATES, THEIR PREPARATION METHODS, PHOTOINITIATOR COMPOSITIONS AND USES THEREOF
  申请人：Tianjin Jiuri Chemical Co., Ltd.

  公开号：EP2592074A1

  公开（公告）日：2013-05-15

  The present invention relates to thioxanthone-4-carboxylates, a method for the preparation of the compounds, photoinitiator compositions and use of them as photoinitiators. The compounds of the invention have a structure according to Formula ( I ) below: in which: each R1 is independently selected from the group consisting of H, halogen, C1-C12 alkyl, C3-C6 cycloalkyl or C1-C12 alkoxy; R2 and R3 are independently selected from the group consisting of H, halogen, C1-C18 alkyl, C3-C6 cycloalkyl or C1-C18 alkoxy; Y is independently selected from the group consisting of C1-C18 alkoxy or small molecular compounds containing 2-6 hydroxyl group; m is a number from 1 to 6; and X is or wherein R4 and R5 are each independently selected from the group consisting of H, halogen, C1-C6 alkyl; a is a number from 1 to 6; b, d, e respectively represent a number from 1 to 25, c is a number from 1 to 5. The invention provides the compounds with the characters of low extraction, low migration and low volatility and use of them as photoinitiators in photo-polymerization, or package materials of medicine or food. As well, the raw materials of the invention are easily got, and the process of the invention is simple, so thioxanthone-4-carboxylate derivatives are suitable for industrial production.

  本发明涉及硫代蒽酮-4-羧酸酯，一种制备该化合物的方法，光引发剂组合物以及将它们用作光引发剂的用途。本发明的化合物具有如下式（I）所示的结构：其中：每个R1独立地选自H、卤素、C1-C12烷基、C3-C6环烷基或C1-C12烷氧基组成的群；R2和R3独立地选自H、卤素、C1-C18烷基、C3-C6环烷基或C1-C18烷氧基组成的群；Y独立地选自C1-C18烷氧基或含有2-6个羟基的小分子化合物；m是1到6的数字；X是或其中R4和R5各自独立地选自H、卤素、C1-C6烷基；a是1到6的数字；b、d、e分别表示1到25的数字，c是1到5的数字。本发明提供了具有低萃取性、低迁移性和低挥发性特性的化合物，并将它们用作光聚合中的光引发剂，或用作药品或食品包装材料。此外，本发明的原材料易于获取，而且本发明的工艺简单，因此硫代蒽酮-4-羧酸酯衍生物适合工业生产。
• Gialdi et al., Farmaco, Edizione Scientifica, 1959, vol. 14, p. 829,840
  作者：Gialdi et al.

  DOI：——

  日期：——