1,3-dimethylthioxanthone | 76529-35-6

• 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: 1,3-dimethylthioxanthone
• 英文别名: 1,3-dimethyl-thioxanthen-9-one；1,3-Dimethyl-thioxanthen-9-on；1,3-Dimethylthioxanthen-9-one
• CAS: 76529-35-6
• 化学式: C₁₅H₁₂OS
• 分子量: 240.326
• InChiKey: WLBPGOZDKPPCRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-二甲基苯硫酚 在 硫酸 、 sodium 、 铜 作用下， 以 甲醇 为溶剂， 反应 1.08h， 生成 1,3-dimethylthioxanthone
  参考文献：
  名称：

  Dimethylthioxanthones formed by condensation of 2-mercaptobenzoic acid with o-, or m-xylene in sulfuric acid.

  摘要：

  多种二甲基取代的噻喹喔啉是通过2-巯基苯甲酸与邻-, 中-, 或对-二甲苯在硫酸中的缩合反应制备的。其中一些是新化合物（5，11，12和13）。即，从邻二甲苯中形成了1,2-二甲基（11），2,3-二甲基（12）和3,4-二甲基噻喹喔啉（13），产率分别为9.3%、37.1%和12.8%。通过相同的缩合反应，从中二甲苯和对二甲苯分别获得了2,4-二甲基噻喹喔啉（4）和1,4-二甲基噻喹喔啉（9）。根据光谱研究和与通过另一合成路径（即苯基硫代苯甲酸的环化反应）获得的认证材料的比较，确认了这些化合物的结构。

  DOI：

  10.1248/cpb.35.2545

文献信息

• Acid- and radical-generating agent and method for generating acid and radical
  申请人：FUJIFILM Wako Pure Chemical Corporation

  公开号：US10451967B2

  公开（公告）日：2019-10-22

  It is a subject of the present invention to provide an acid- and radical-generating agent which has high sensitivity to an active energy ray having a wavelength of around 300 to 450 nm, and can exert both high acid-generating performance and high radical-generating performance, and has heat resistance; and a method for generating an acid and a radical. The present invention relates to a compound represented by the general formula (A); an acid- and radical-generating agent comprising the compound; and a method for generating an acid and a radical: wherein n pieces of R1 each independently represent an alkyl group, which may have a specific functional group in the chain, or in which a hydrogen atom may be substituted by a halogen atom; an alkoxy group, in which a hydrogen atom may be substituted by a halogen atom; an aryl group or an aryloxy group, in which a hydrogen atom may be substituted by a halogen atom, an alkyl group or a haloalkyl group; or an arylalkyl group or an arylalkyloxy group, in which a hydrogen atom may be substituted by a halogen atom, an alkyl group or a haloalkyl group; n pieces of R2 and R3 each independently represent a hydrogen atom, an alkyl group or an alkoxycarbonyl group; R4 to R7 each independently represent a hydrogen atom, a halogen atom, an alkyl group, an alkoxy group, an alkenyl group, an aryl group, an alkoxycarbonyl group, a dialkylamino group or a nitro group; Y represents an oxygen atom, a sulfur atom, or a carbonyl group; n pieces of Z each independently represent a sulfonyl group or an alkoxyphosphoryl group; n represents 1 or 2.

  本发明的一个目的是提供一种对波长约为300至450纳米的活性能量射线具有高灵敏度的酸和自由基生成剂，能够发挥高酸生成性能和高自由基生成性能，并具有耐热性；以及一种生成酸和自由基的方法。本发明涉及一种由通式（A）表示的化合物；包括该化合物的酸和自由基生成剂；以及生成酸和自由基的方法：其中n个R1分别独立表示一种烷基基团，该烷基基团可能在链中具有特定的功能基团，或者氢原子可能被卤原子取代；一种烷氧基团，其中氢原子可能被卤原子取代；一种芳基或芳氧基，其中氢原子可能被卤原子，烷基或卤代烷基取代；或一种芳基烷基或芳基氧基，其中氢原子可能被卤原子，烷基或卤代烷基取代；n个R2和R3分别独立表示氢原子，烷基基团或烷氧羰基团；R4到R7分别独立表示氢原子，卤原子，烷基基团，烷氧基团，烯基基团，芳基，烷氧羰基团，二烷基氨基团或硝基；Y表示氧原子，硫原子或羰基；n个Z分别独立表示磺酰基或烷氧基磷酰基；n表示1或2。
• OKABAYASHI, ICHIZO;KIMURA, MICHIO;FUJIWARA, HIDETOSHI;KATO, AKIRA, CHEM. AND PHARM. BULL., 35,(1987) N 6, 2545-2549
  作者：OKABAYASHI, ICHIZO、KIMURA, MICHIO、FUJIWARA, HIDETOSHI、KATO, AKIRA

  DOI：——

  日期：——
• ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD.

  公开号：US20160342084A1

  公开（公告）日：2016-11-24

  It is a subject of the present invention to provide an acid- and radical-generating agent which has high sensitivity to an active energy ray having a wavelength of around 300 to 450 nm, and can exert both high acid-generating performance and high radical-generating performance, and has heat resistance; and a method for generating an acid and a radical. The present invention relates to a compound represented by the general formula (A); an acid- and radical-generating agent comprising the compound; and a method for generating an acid and a radical: wherein n pieces of R 1 each independently represent an alkyl group, which may have a specific functional group in the chain, or in which a hydrogen atom may be substituted by a halogen atom; an alkoxy group, in which a hydrogen atom may be substituted by a halogen atom; an aryl group or an aryloxy group, in which a hydrogen atom may be substituted by a halogen atom, an alkyl group or a haloalkyl group; or an arylalkyl group or an arylalkyloxy group, in which a hydrogen atom may be substituted by a halogen atom, an alkyl group or a haloalkyl group; n pieces of R 2 and R 3 each independently represent a hydrogen atom, an alkyl group or an alkoxycarbonyl group; R 4 to R 7 each independently represent a hydrogen atom, a halogen atom, an alkyl group, an alkoxy group, an alkenyl group, an aryl group, an alkoxycarbonyl group, a dialkylamino group or a nitro group; Y represents an oxygen atom, a sulfur atom, or a carbonyl group; n pieces of Z each independently represent a sulfonyl group or an alkoxyphosphoryl group; n represents 1 or 2.