4-甲基-9H-噻吨-9-酮 | 87548-97-8

• 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: 4-甲基-9H-噻吨-9-酮
• 中文别名: (10S,11S)-4-(羟甲基)-10,11-二氢四芬-10,11-二醇
• 英文名称: 4-methylthioxanthone
• 英文别名: 4-Methyl-9H-thioxanthen-9-one；4-methylthioxanthen-9-one
• CAS: 87548-97-8
• 化学式: C₁₄H₁₀OS
• 分子量: 226.299
• InChiKey: IXBNDVAWTMCRPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  4-甲基-9H-噻吨-9-酮 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 硫酸 、 四丁基溴化铵 、 溶剂黄146 作用下， 以 四氯化碳 、 二氯甲烷 、 水 为溶剂， 反应 14.0h， 生成 9-oxo-9H-thioxanthene-4-acetic acid
  参考文献：
  名称：

  潜在的抗肿瘤药。62.与结肠肿瘤活性药物9-氧代-9H-氧杂蒽-4-乙酸有关的三环化合物的构效关系。

  摘要：

  已经制备了一系列9-氧代-9H-氧杂蒽-4-乙酸的三环类似物，并评估了它们在小鼠皮下植入的结肠38肿瘤中引起出血性坏死的能力，以期扩展其结构-活性关系。这个系列。如先前在黄酮8-乙酸（FAA）的类似物中所发现的（Atwell等人，Anti-Cancer Drug Des。1989，4，161），XAA核的所有电子修饰均导致活性的严重降低或完全取消。 ，表明结构-活性关系狭窄。计算了许多化合物的偶极矩，发现分子偶极矩离开这些分子芳族部分平面的程度很大程度上取决于乙酸部分相对于乙酸部分的贡献。三环系统。偶极矩的大小与活动之间似乎没有任何一般的关系。但是，对于含有9-羰基官能团的化合物，偶极向量的方向可能很重要。在所有具有位于乙酸侧链周围的醚基的化合物中，该化合物与侧链OH之间存在接近的途径（约2.4 A）。

  DOI：

  10.1021/jm00106a003
• 作为产物：
  描述：

  2-巯基甲苯 在 copper(l) iodide 、 copper bronze 、 硫酸 、 potassium carbonate 作用下， 以 硝基苯 为溶剂， 生成 4-甲基-9H-噻吨-9-酮
  参考文献：
  名称：

  Brindle, Ian D.; Doyle, Paul P., Canadian Journal of Chemistry, 1983, vol. 61, p. 1869 - 1871

  摘要：

  DOI：

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。
• Photobase generator
  申请人：San-Apro Limited

  公开号：US08329771B2

  公开（公告）日：2012-12-11

  The object of the present invention is to provide a photobase generator capable of efficiently generating amines (tertiary amines and amidine) high in catalytic activity by sensing light with a wavelength of from 350 to 500 nm (especially, from 400 to 500 nm). The present invention is a photobase generator characterized in being represented by general formula (1) or (2). Y+ is a quaternary ammonio group of general formula (3) to (5), and X− is a counter anion selected from among a borate anion, a phenolate anion, and a carboxylate anion.

  本发明的目的是提供一种光碱发生器，能够通过感应波长在350至500纳米（尤其是400至500纳米）的光线，高效生成具有高催化活性的胺类物质（三级胺和胺化物）。本发明是一种以通式（1）或（2）表示的光碱发生器。Y+是通式（3）至（5）的季铵基团，X−是从硼酸根离子、酚酚根离子和羧酸根离子中选择的对离子。
• 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）。
• Synthesis and Antitumor Activity of Some New 2-Chloroethylnitrosoureas
  作者：Evangelos Filippatos、Aspasia Papadaki-Valiraki、Christos Roussakis、Jean-Francois Verbist

  DOI：10.1002/ardp.19933260805

  日期：——

  The synthesis of a series of N‐(2‐chloroethyl)‐N′‐(9H‐xanthen‐9‐yl)‐N‐nitrosoureas and N‐(2‐chloroethyl)‐N′‐(9H‐thioxanthen‐9‐yl)‐N‐nitrosoureas is described. The title compounds were evaluated against NSCLCN6 L16 bronchial epidermoid carcinoma in vitro and some of them were found to be active. N‐(2‐chloroethyl)‐N′‐(2‐methoxy‐9H‐xanthen‐9‐yl)‐N‐nitrosourea (8e) was active against leukemia P388 tumor

  一系列N-(2-氯乙基)-N'-(9H-xanthen-9-基)-N-亚硝基脲和N-(2-氯乙基)-N'-(9H-噻吨-9-基)的合成) -N - 亚硝基脲类。标题化合物在体外针对 NSCLCN6 L16 支气管表皮样癌进行了评估，发现其中一些具有活性。N-(2-氯乙基)-N'-(2-甲氧基-9H-黄原酸-9-基)-N-亚硝基脲(8e)对小鼠白血病P388肿瘤系统有活性。
• 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。