1-methylthioxanthone | 22061-71-8

• 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-methylthioxanthone
• 英文别名: Methylthioxanthone；1-methylthioxanthen-9-one
• CAS: 22061-71-8
• 化学式: C₁₄H₁₀OS
• 分子量: 226.299
• InChiKey: QZKVUSSYPPWURQ-UHFFFAOYSA-N

物化性质

• 熔点：
  73-75 °C(Solv: ligroine (8032-32-4))
• 沸点：
  391.4±32.0 °C(Predicted)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 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

反应信息

• 作为反应物：
  描述：

  1-methylthioxanthone 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 以90%的产率得到1-methylthioxanthone-10,10-oxide
  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：
• 作为产物：
  描述：

  3-甲基苯硫酚 在 铜 氢氧化钾 、 硫酸 作用下， 以 水 为溶剂， 反应 14.5h， 生成 1-methylthioxanthone
  参考文献：
  名称：

  Potential psychotropic and antihistamine agents: 1- and 3-alkyl-9-(3-dimethylaminopropylidene)-thioxanthenes and 3-alkyl-11-piperazino-10,11-dihydrodibenzo[b,f]thiepins

  摘要：

  在钾氢氧化物和铜的存在下，3-甲基硫代苯酚和3-乙基硫代苯酚与2-碘苯甲酸和（2-碘苯基）乙酸反应，生成了酸IVab和Xab。酸IVab通过与硫酸混合物环化生成1-和3-烷基硫代黄酮（Va + VIa，Vb + VIb），通过结晶或色谱分离并通过光谱鉴定单个化合物。稍微优势的3-烷基衍生物Vab与3-二甲基氨基丙基氯化镁反应，生成三级醇VIIab，通过酸催化脱水转化为标题化合物Iab。类似地，1-乙基硫代黄酮（VIb）通过三级醇VIII生成标题化合物IX。酸Xab通过多聚磷酸环化明确生成酮XIab，通过醇XIIab转化为氯衍生物XIIIab。与1-甲基哌嗪和1-（2-羟乙基）哌嗪的取代反应导致标题化合物IIab和IIIb。制备的化合物（I-III）具有抗组胺活性，更或多或少具有中枢抑制剂作用。化合物Ib，IIb和IIIb表现出明显的癫痫样活性，而化合物Ib还表现出抗去甲肾上腺素活性。化合物IX在高剂量下仅具有中枢抑制作用，但具有抗惊厥作用和显着的镇咳作用。

  DOI：

  10.1135/cccc19823134

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。
• 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。
• Photo-curable reparative material for dental use
  申请人：——

  公开号：US20030162863A1

  公开（公告）日：2003-08-28

  A photocurable dental restorative comprising (i) 100 parts by weight of a polymerizable monomer, (ii) 0.01 to 5 parts by weight of a photopolymerization initiator of acylphosphine oxide, and (iii) 200 to 1900 parts by weight of an inorganic filler, wherein the inorganic filler (iii) is a mixed filler of: (A) irregular-shaped inorganic particles having an average particle size of not smaller than 0.1 &mgr;m but smaller than 1 &mgr;m; (B) spherical inorganic particles having an average primary particle size of not smaller than 0.1 &mgr;m but not larger than 5 &mgr;m; and (C) fine inorganic particles having an average primary particle size of not larger than 0.1 &mgr;m; which are so blended as to satisfy the following mass ratios circle over (1)} to circle over (3)}: mA /( mB+mC )=0.2 to 3  circle over (1)} mB /( mB+mC )=0.5 to 0.99  circle over (2)} mC /( mB+mC )=0.01 to 0.5  circle over (3)} where mA, mB and mC are masses of the inorganic particles (A) to (C). The restorative features excellent handling property, and makes it possible to obtain a cured product having a high fracture toughness and excellently glossy surface.

  一种光固化牙科修复材料，包括（i）100份重量的可聚合单体，（ii）0.01至5份重量的酰基膦氧化物光聚合引发剂，和（iii）200至1900份重量的无机填料，其中无机填料（iii）是以下混合填料：（A）具有平均粒径不小于0.1μm但小于1μm的不规则形状无机颗粒；（B）具有平均初级粒径不小于0.1μm但不大于5μm的球形无机颗粒；和（C）具有平均初级粒径不大于0.1μm的细微无机颗粒；这些颗粒混合以满足以下质量比圆圈1}至圆圈3}：mA/(mB+mC)=0.2至3；mB/(mB+mC)=0.5至0.99；mC/(mB+mC)=0.01至0.5；其中mA、mB和mC分别为无机颗粒（A）至（C）的质量。该修复材料具有出色的操作性能，可以获得具有高断裂韧性和极佳光泽表面的固化产品。
• Synthesis of S-Pixyl Derivatives for Mass Spectrometric Applications
  作者：Mikhail S. Shchepinov、Safraz Khan、Pablo L. Bernad、Vladimir A. Korshun、Edwin M. Southern

  DOI：10.1055/s-2005-872703

  日期：——

  Synthesis of novel S-pixyls based on the thioxanthyl skeleton is described. Thioxanthone derivatives were prepared by a regioselective intramolecular Friedel-Crafts acylation reaction and converted into S-pixyl derivatives by Grignard synthesis. S-Pixyl carbocations stabilised by electron donating groups on the thioxanthyl backbone produced exceptional mass spectra under (MA)LDI conditions (laser desorption ionisation, both with and without ­matrix), and can be detected down to femtomol levels.

  描述了基于噻吡啶骨架的新型S-匹克斯基尔的合成。通过区域选择性分子内弗里德尔-克拉夫茨酰化反应制备了噻吡啶酮衍生物，并通过格里尼亚反应转化为S-匹克斯基尔衍生物。在（MA）LDI条件下（激光解吸电离，包括有无基质），由噻吡啶主链上的电子给体基团稳定的S-匹克斯基尔碳阳离子产生了卓越的质谱，可以检测到达法摩尔水平。