3-氯-1-((4-甲基苯基)磺酰基)乙酮 | 57122-47-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氯-1-((4-甲基苯基)磺酰基)乙酮
• 英文名称: 3-chloro-1-((4-methylphenyl)sulfonyl)acetone
• 英文别名: 1-chloro-3-(toluene-4-sulfonyl)-acetone；p-Tolyl-(3-chlor-acetonyl)-sulfon；3-Chlor-1-p-tolylsulfon-aceton；1-Chlor-3-(toluol-4-sulfonyl)-aceton；α'-Chlor-α-p-tolylsulfon-aceton；1-chloro-3-(4-methylphenyl)sulfonylpropan-2-one
• CAS: 57122-47-1
• 化学式: C₁₀H₁₁ClO₃S
• mdl: MFCD00045282
• 分子量: 246.715
• InChiKey: MRSPEVAHYRJSAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氯-1-((4-甲基苯基)磺酰基)乙酮 在 次磷酸 、 三乙胺 作用下， 以 1,4-二氧六环 、 水 、 二甲基亚砜 、 1,2-二氯乙烷 为溶剂， 反应 6.34h， 生成 1-[(4-methylphenyl)sulfonyl]undecan-2-one
  参考文献：
  名称：

  利用新型黄原酸盐试剂从烯烃中合成 β-酮砜

  摘要：

  DOI：

  10.1002/bkcs.11302
• 作为产物：
  描述：

  1-bromo-3-(toluene-4-sulfonyl)-acetone 在 乙醇 、 silver(I) chloride 作用下， 生成 3-氯-1-((4-甲基苯基)磺酰基)乙酮
  参考文献：
  名称：

  Troeger; Pahle, Journal fur praktische Chemie (Leipzig 1954), 1926, vol. <2> 112, p. 236

  摘要：

  DOI：

文献信息

• AMIDINE COMPOUND OR SALT THEREOF
  申请人：Tanikawa Tetsuya

  公开号：US20140155597A1

  公开（公告）日：2014-06-05

  The purpose of the present invention is to provide a novel compound which has an anti-fungal activity on pathogenic fungi including fungi belonging to the genus Candida , the genus Aspergillus and the genus Trichophyton and is useful as a medicinal agent. A compound represented by formula (I) (wherein A 1 represents a nitrogen atom or a group represented by formula CR 6 ; A 2 and A 3 are the same as or different from each other and independently represent a nitrogen atom or a group represented by formula CH; R 1 represents an aryl group which may be substituted by 1 to 5 substituents independently selected from a substituent group (2) or the like; R 2 and R 3 are the same as or different from each other and independently represent a hydrogen atom, a halogen atom, a C 1-6 alkyl group, a C 1-6 haloalkyl group or a C 1-6 alkoxy group; and R 4 and R 5 are the same as or different from each other and independently represent a hydrogen atom, a C 1-6 haloalkyl group, a C 1-6 alkyl group or the like) or a salt thereof is useful as an anti-fungal agent.

  本发明的目的是提供一种新颖的化合物，该化合物对包括属于念珠菌属、曲霉属和毛癣菌属的病原真菌具有抗真菌活性，并可用作药物。由公式(I) (其中A 1代表氮原子或由公式CR 6表示的基团；A 2和A 3相同或不同，独立地表示氮原子或由公式CH表示的基团；R 1表示可能由1至5个独立选自取代基组(2)的取代基取代的芳基；R 2和R 3相同或不同，独立地表示氢原子、卤素原子、C 1-6烷基、C 1-6卤代烷基或C 1-6烷氧基；R 4和R 5相同或不同，独立地表示氢原子、C 1-6卤代烷基、C 1-6烷基等)或其盐用作抗真菌剂。
• Effect of structural change on acute toxicity and antiinflammatory activity in a series of imidazothiazoles and thiazolobenzimidazoles
  作者：Larry J. Powers、S. W. Fogt、Z. S. Ariyan、D. J. Rippin、R. D. Heilman、Richard J. Matthews

  DOI：10.1021/jm00137a022

  日期：1981.5

  The effect of structural change on the biological activity of a series of imidazothiazoles and thiazolobenzimidazoles is described. It was found that compounds with polar substituents at the 2 or 3 position of the ring system are less acutely toxic while maintaining antiinflammatory activity. Other structural changes, such as the incorporation of a gem-dimethyl substituent in the 6 position, increase

  描述了结构变化对一系列咪唑并噻唑和噻唑基苯并咪唑的生物活性的影响。发现在环系统的2或3位具有极性取代基的化合物在维持抗炎活性的同时毒性较小。其他结构变化，例如在6位掺入宝石二甲基取代基，会增加急性毒性并消除抗炎活性。具有最佳活性/毒性比的化合物在噻唑环上包含烷基磺酰基取代基。噻唑并苯并咪唑类似物比咪唑类似物更有效。
• Chemoselective mono halogenation of β-keto-sulfones using potassium halide and hydrogen peroxide; synthesis of halomethyl sulfones and dihalomethyl sulfones
  作者：N. Suryakiran、P. Prabhakar、T. Srikanth Reddy、K. Chinni Mahesh、K. Rajesh、Y. Venkateswarlu

  DOI：10.1016/j.tetlet.2006.11.129

  日期：2007.1

  The synthesis of alpha-halo beta-keto-sulfones using potassium halide and hydrogen peroxide as a chemoselective mono halogenation reagent and the synthesis of alpha, alpha-symmetrical and asymmetrical dihalo beta-keto-sulfones and alpha-halo, alpha-alkyl and beta-keto-sulfones is described. Base induced cleavage of alpha-halo beta-keto-sulfones, alpha,alpha-dihalo beta-keto-sulfones, and alpha-halo, alpha-alkyl beta-keto-sulfones afforded the corresponding halomethyl sulfones, dihalomethyl sulfones and haloalkyl sulfones. (c) 2006 Elsevier Ltd. All rights reserved.
• Ohta; Satoh, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1948, vol. 68, p. 165
  作者：Ohta、Satoh

  DOI：——

  日期：——
• VENNSTRO GAUKE E.; ZWANEBURG BINNE., SYNTHESIS 1975, NO 8, 519-520
  作者：VENNSTRO GAUKE E.、 ZWANEBURG BINNE.

  DOI：——

  日期：——