9-氧代-9H-硫代氧杂蒽-1-羧酸 | 51762-69-7

• 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-9H-硫代氧杂蒽-1-羧酸
• 英文名称: 9H-9-oxothioxanthene-1-carboxylic acid
• 英文别名: 9-oxo-9H-thioxanthen-1-carboxylic acid；thioxanthone-1-carboxylic acid；9-oxo-9H-thioxanthene-1-carboxylic acid；9-oxothioxanthene-1-carboxylic acid
• CAS: 51762-69-7
• 化学式: C₁₄H₈O₃S
• 分子量: 256.282
• InChiKey: XIAMGZGYOUIKGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-氧代-9H-硫代氧杂蒽-1-羧酸 以 氯化亚砜 为溶剂， 生成 thioxanthone-1-carboxylic acid chloride
  参考文献：
  名称：

  Thioxanthonecarboxylic acid esters, thioesters and amides

  摘要：

  硫代蒽羧酸酯，硫酯或式I的酰胺 ##STR1## 其中X和Z为氢或更详细定义在权利要求书中的取代基之一，Y为--OR.sub.1，--SR.sub.1或--N(R.sub.1)(R.sub.2)，其中R.sub.1为C.sub.1-24烷基，R.sub.2为H或R.sub.1，如果需要可以与胺一起作为乙烯基不饱和化合物的光聚合引发剂或聚烯烃的光化学交联剂。它们还用作光交联聚合物的敏化剂。它们可以通过已知的方法制备，例如通过苯硫酸、异苯二甲酸或对苯二甲酸的环化，这些酸可以相应地取代，并随后与适当的醇，硫醇或胺反应而制备。

  公开号：

  US04506083A1
• 作为产物：
  描述：

  3-硝基邻苯二甲酸酐 在 aluminum (III) chloride 、 乙酸酐 、 溶剂黄146 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 二甲基亚砜 、 甲苯 为溶剂， 反应 15.0h， 生成 9-氧代-9H-硫代氧杂蒽-1-羧酸
  参考文献：
  名称：

  Radiation curable compositions

  摘要：

  根据公式(I)的可聚合的Norrish II型光引发剂：含有公式(I)的可聚合Norrish II型光引发剂的辐射固化组合物和喷墨墨水表现出与辐射固化组合物和喷墨墨水的更好兼容性和溶解性，并且在固化后显示出光引发剂及其残留物的可萃取量较低。

  公开号：

  US08536217B2
• 作为试剂：
  描述：

  9-氧代-9H-硫代氧杂蒽-1-羧酸 、 乙腈 、 4-Hydroxybutylacrylate glycidylether 在 四丁基溴化铵 、 2,6-二叔丁基-4-甲基苯酚 9-氧代-9H-硫代氧杂蒽-1-羧酸 、 二氯甲烷 、 sodium hydroxide 、 水 、 magnesium sulfate 作用下， 以 二甲基亚砜 为溶剂， 反应 25.0h， 以to provide 4.9 g of a yellow oil的产率得到9-oxo-9H-thioxanthene-1-carboxylic acid-3-(4-acryloyloxy-butoxy)-2-hydroxy-propyl ester
  参考文献：
  名称：

  RADIATION CURABLE COMPOSITIONS

  摘要：

  公式（I）所示的可聚合的Norrish II型光引发剂。含有公式（I）中的可聚合的Norrish II型光引发剂的辐射可固化组合物和喷墨油墨表现出与辐射可固化组合物和喷墨油墨的改进相容性和溶解度，并在固化后表现出光引发剂及其残留物的低可萃取量。

  公开号：

  US20110159203A1

文献信息

• Thioxanthonecarboxylic acids, esters, thioesters and amides with
  申请人：Ciba-Geigy Corporation

  公开号：US04348530A1

  公开（公告）日：1982-09-07

  Thioxanthone carboxylic acid esters, thioesters and amides with reactive functional groups of the formula ##STR1## in which X, Y, Z, n and Q are as defined in the patent claim and Q is, for example, --OCH.dbd.CH.sub.2, --OCH.sub.2 CH.dbd.CH.sub.2, --SCH.sub.2 CH.dbd.CH.sub.2 or --NHCH.sub.2 CH.dbd.CH.sub.2 (n=1), --OH, --SH, --NH.sub.2, --COOH, --COCl or --OCO--C(R").dbd.CH.sub.2, in which R" is methyl or hydrogen (n=2), are suitable for the preparation of polymers with thioxanthone radicals in side chains. The compounds (I) and also the polymers which can be prepared therefrom can be employed as sensitisers for photocrosslinkable polymers or as initiators, if desired in a mixture with amines, for the photopolymerisation of ethylenically unsaturated compounds or for the photochemical crosslinking of polyolefines.

  硫代二苯并酮羧酸酯、硫酯和具有式##STR1##中X、Y、Z、n和Q如专利要求中定义的具有反应性官能团的酰胺，其中Q是，例如，--OCH.dbd.CH.sub.2，--OCH.sub.2 CH.dbd.CH.sub.2，--SCH.sub.2 CH.dbd.CH.sub.2或--NHCH.sub.2 CH.dbd.CH.sub.2（n=1），--OH，--SH，--NH.sub.2，--COOH，--COCl或--OCO--C（R"）.dbd.CH.sub.2，其中R"是甲基或氢（n=2），适用于制备侧链中具有硫代二苯并酮基团的聚合物。可以将化合物（I）以及可以从中制备的聚合物用作光交联聚合物的感光剂或引发剂，如有需要，可以与胺混合物一起用于乙烯不饱和化合物的光聚合或聚烯烃的光化学交联。
• Antiallergic cyclic sulphur compounds
  申请人：Burroughs Wellcome Co.

  公开号：US04103015A1

  公开（公告）日：1978-07-25

  Certain tricyclic thioxanthone-10,10-dioxide compounds each of which is substituted in the 1-,2-,3- or 4-position by a carboxyl or (5-tetrazolyl) group and each of which is optionally substituted in the 5-,6-,7- or 8-position by a second carboxyl or (5-tetrazolyl) group or a substituent selected from cyano, halogen, nitro, alkyl, alkoxy, acyl, amino, acylamino, thioalkyl, alkylsulphinyl and alkylsulphonyl, as well as salts, and optionally substituted esters and amides of the carboxyl substituted compounds and alkyl derivatives of the tetrazolyl substituted compounds, are useful for the relief or prophylaxis of allergic conditions.

  某些三环噻吉喃-10,10-二氧化物化合物，其中每个在1-、2-、3-或4-位上被羧基或(5-四唑基)基取代，且每个在5-、6-、7-或8-位上可选择地被第二个羧基或(5-四唑基)基或氰基、卤素、硝基、烷基、烷氧基、酰基、氨基、酰胺基、硫代烷基、烷基砜基和烷基砜基之一的取代基取代，以及这些羧基取代化合物的盐、可选择地取代的酯和酰胺以及四唑基取代化合物的烷基衍生物，对于缓解或预防过敏症状是有用的。
• RADICAL POLYMERIZATION INITIATOR, COMPOSITION CONTAINING SAME, CURED PRODUCT OF COMPOSITION, PRODUCTION METHOD FOR CURED PRODUCT, AND COMPOUND
  申请人：ADEKA CORPORATION

  公开号：US20210107887A1

  公开（公告）日：2021-04-15

  Provided are: a radical polymerization initiator which has excellent sensitivity and solubility in water; a composition containing the same; a cured product of the composition; a method of producing the cured product; and a compound. The radical polymerization initiator contains a compound represented by Formula (A) below (wherein Z 1 represents a direct bond or the like; Z 2 represents >CR 102 2 or the like; R 1 to R 8 each represent a hydrogen atom or the like, or a group containing a salt-forming group, which is represented by Formula (B1) below (wherein L 1 represents a direct bond or the like, B represents an acidic group salt or the like, b represents 1 to 10, and the asterisk (*) represents a binding site); at least one of R 1 to R 8 is the group containing a salt-forming group; R 101 and the like each represent a hydrogen atom or the like; one or more hydrogen atoms in the alkyl group and the like used as R 1 to R 8 and the like are optionally substituted with an ethylenically unsaturated group or the like; one or more methylene groups in R 1 to R 8 and the like are optionally substituted with a double bond or the like; adjacent groups such as R 1 and R 2 are optionally bound together to form a ring and optionally form a fused ring with a benzene ring in Formula (A); and R′ represents a hydrogen atom or the like).

  提供了：具有优异灵敏度和水溶性的自由基聚合引发剂；含有该引发剂的组合物；该组合物的固化产物；生产该固化产物的方法；以及一种化合物。自由基聚合引发剂包含以下式（A）所代表的化合物（其中Z1代表直接键或类似物；Z2代表>CR1022或类似物；R1至R8各自代表氢原子或类似物，或者包含盐形成基团的群，该基团由下式（B1）代表（其中L1代表直接键或类似物，B代表酸性基团盐或类似物，b代表1至10，星号（*）代表结合位）；R1至R8中至少有一个是包含盐形成基团的群；R101等各自代表氢原子或类似物；R1至R8等中所用的烷基群等中的一个或多个氢原子可以选择性地被乙烯不饱和基团等替代；R1至R8等中的一个或多个亚甲基群可以选择性地被双键等替代；相邻的群，如R1和R2，可以选择性地结合在一起形成环，并且可以选择性地与式（A）中的苯环形成融合环；R′代表氢原子或类似物）。
• Cyclic sulphur compounds
  申请人：Burroughs Wellcome Co.

  公开号：US04012499A1

  公开（公告）日：1977-03-15

  Certain tricyclic thioxanthone-10,10-dioxide compounds each of which is substituted in the 1-,2-,3- or 4-position by a carboxyl or (5-tetrazolyl) group and each of which is optionally substituted in the 5-,6-,7- or 8-position by a second carboxyl or (5-tetrazolyl) group or a substituent selected from cyano, halogen, nitro, alkyl, alkoxy, acyl, amino, acylamino, thioalkyl, alkylsulphinyl and alkylsulphonyl, as well as salts, and optionally substituted esters and amides of the carboxyl substituted compounds and alkyl derivatives of the tetrazolyl substituted compounds, are useful for the relief or prophylaxis of allergic conditions.

  一些三环噻二氧杂蒽-10,10-二氧化物化合物，其中每个在1、2、3或4位被羧基或(5-四唑基)基取代，同时每个在5、6、7或8位可选择地被第二个羧基或(5-四唑基)基或氰基、卤素、硝基、烷基、烷氧基、酰基、氨基、酰胺基、硫代烷基、烷基砜基和烷基砜基等取代基取代，以及这些羧基取代化合物的盐、可选择地取代的酯和酰胺以及四唑基取代化合物的烷基衍生物，可用于缓解或预防过敏症状。
• 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。