4-(benzyloxy)-1-chlorothioxanthenone | 80568-22-5

• 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: 4-(benzyloxy)-1-chlorothioxanthenone
• 英文别名: 4-Benzyloxy-1-chlorothioxanthone；1-Chloro-4-phenylmethoxythioxanthen-9-one
• CAS: 80568-22-5
• 化学式: C₂₀H₁₃ClO₂S
• 分子量: 352.841
• InChiKey: QMFIXUZVMHCFET-UHFFFAOYSA-N

物化性质

• 沸点：
  541.3±50.0 °C(Predicted)
• 密度：
  1.363±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(benzyloxy)-1-chlorothioxanthenone 在 吡啶 、 氢碘酸 作用下， 反应 20.5h， 生成 1-[2-(Diethylamino)ethylamino]-4-hydroxythioxanthen-9-one;hydroiodide
  参考文献：
  名称：

  Ring-hydroxylated analogs of lucanthone as antitumor agents

  摘要：

  A series of ring-alkoxylated and ring-hydroxylated analogues of lucanthone was prepared and tested for antitumor activity. The most biologically interesting members of this group were the 7-hydroxylucanthone derivatives, 50 and 51, which gave T/C values in the NCI P-388 antitumor screen of 188 and 265, respectively. The apparent association constants and delta Tm values for a number of analogue-DNA complexes were determined to ascertain whether there was any quantitative correlation with biological activity. The most that can be said is that intercalation may be a necessary but far from sufficient condition for antitumor activity.

  DOI：

  10.1021/jm00345a006
• 作为产物：
  描述：

  1-chloro-4-hydroxy-9H-thioxanthen-9-one 、 氯化苄 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 20.0h， 以59%的产率得到4-(benzyloxy)-1-chlorothioxanthenone
  参考文献：
  名称：

  Ring-hydroxylated analogs of lucanthone as antitumor agents

  摘要：

  A series of ring-alkoxylated and ring-hydroxylated analogues of lucanthone was prepared and tested for antitumor activity. The most biologically interesting members of this group were the 7-hydroxylucanthone derivatives, 50 and 51, which gave T/C values in the NCI P-388 antitumor screen of 188 and 265, respectively. The apparent association constants and delta Tm values for a number of analogue-DNA complexes were determined to ascertain whether there was any quantitative correlation with biological activity. The most that can be said is that intercalation may be a necessary but far from sufficient condition for antitumor activity.

  DOI：

  10.1021/jm00345a006

文献信息

• Thioxanthone derivatives
  申请人：GREAT LAKES FINE CHEMICALS LIMITED

  公开号：EP0520574A1

  公开（公告）日：1992-12-30

  Thioxanthone derivatives of the general formula I wherein R¹ wherein R¹ represents a halogen atom or a C₁₋₁₀ alkoxy group, R² and R⁴ each represent a hydrogen atom, a halogen atom or a C₁-C₆ alkyl group, X represents oxygen or sulphur, and R³ represents a C₁-C₁₀ alkyl group optionally substituted by a hydroxy group which hydroxy group may be alkylated by an optionally substituted C₁₋₆ alkyl, C₁₋₆ alkenyl or a benzyl group or acylated by a C₁₋₈ alkanoyl or C₁₋₈ alkenoyl group, a C₁₋₁₀ alkenyl group, a C₃-C₆ cycloalkyl group, a C₁-C₈ alkanoyl group, a C₁₋₈ alkenoyl group, an optionally substituted phenyl group, an optionally substituted benzyl group or an optionally substituted benzoyl group. Process for the preparation of the above thioxanthones, their use as photoinitiators, photopolymerisable compositions containing them, the use of such compositions for the production of photocured surface coating and products on which these photocured compositions have been applied.

  通式 I 的硫杂蒽酮衍生物 其中 R¹ 代表卤原子或 C₁₋₁₀ 烷氧基，R² 和 R⁴ 各自代表氢原子、卤原子或 C₁-C₆ 烷基，X 代表氧或硫、和 R³ 代表任选被羟基取代的 C₁-C₁₀ 烷基，该羟基可被任选取代的 C₁₋₆ 烷基烷基化、C₁₋₆烯基或苄基，或被 C₁₋₈ 烷酰基或 C₁₋₈ 烯酰基、C₁₋₁₀烯基、C₃-C₆环烷基酰化、C₁-C₈烷酰基、C₁₋₈烯酰基、任选取代的苯基、任选取代的苄基或任选取代的苯甲酰基。上述硫杂蒽酮的制备工艺、其作为光引发剂的用途、含有这些硫杂蒽酮的可光聚合组合物、使用这些组合物生产光固化表面涂层以及应用了这些光固化组合物的产品。
• Hot melt composition and method involving forming a masking pattern
  申请人：Rohm and Haas Electronic Materials, L.L.C.

  公开号：EP1630600A2

  公开（公告）日：2006-03-01

  A light-attenuating composition and method of using it are described. The light-attenuating composition may be selectively applied to a radiant energy sensitive material on the substrate. Actinic radiation applied to the composite chemically changes portions of the radiant energy sensitive material not covered by the light-attenuating composition. The light-attenuating composition attenuates light in at least the UV range and is water-soluble or water-dispersible.

  本文描述了一种光衰减组合物及其使用方法。光衰减组合物可有选择地应用于基底上的辐射能敏感材料。施加到复合材料上的阳极辐射会使未被光衰减组合物覆盖的辐射能敏感材料部分发生化学变化。光衰减组合物至少能衰减紫外线范围内的光，并且是水溶性或水分散性的。
• Melts
  申请人：Anzures Edgardo

  公开号：US20060121389A1

  公开（公告）日：2006-06-08

  A light-attenuating composition and method of using it are described. The light-attenuating composition may be selectively applied to a radiant energy sensitive material on the substrate. Actinic radiation applied to the composite chemically changes portions of the radiant energy sensitive material not covered by the light-attenuating composition. The light-attenuating composition attenuates light in at least the UV range and is water-soluble or water-dispersible.

  本文描述了一种光衰减组合物及其使用方法。光衰减组合物可有选择地应用于基底上的辐射能敏感材料。施加到复合材料上的阳极辐射会使未被光衰减组合物覆盖的辐射能敏感材料部分发生化学变化。光衰减组合物至少能衰减紫外线范围内的光，并且是水溶性或水分散性的。
• MELTS
  申请人：ANZURES Edgardo

  公开号：US20110086314A1

  公开（公告）日：2011-04-14

  A light-attenuating composition and method of using it are described. The light-attenuating composition may be selectively applied to a radiant energy sensitive material on the substrate. Actinic radiation applied to the composite chemically changes portions of the radiant energy sensitive material not covered by the light-attenuating composition. The light-attenuating composition attenuates light in at least the UV range and is water-soluble or water-dispersible.
• US5414092A
  申请人：——

  公开号：US5414092A

  公开（公告）日：1995-05-09