2-(4-Acetylphenylthio)-5-chlorbenzoesaeure | 66949-65-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-Acetylphenylthio)-5-chlorbenzoesaeure
• 英文别名: 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid
• CAS: 66949-65-3
• 化学式: C₁₅H₁₁ClO₃S
• 分子量: 306.77
• InChiKey: FJKPKRPWYGRVLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 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：

  2-(4-Acetylphenylthio)-5-chlorbenzoesaeure 在 PPA 、 Polyphosphoric acid (PPA) 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 20.0h， 生成 2-Chloro-7-(2-methyl-[1,3]dioxolan-2-yl)-thioxanthen-9-one
  参考文献：
  名称：

  Acylthioxanthenes: agents which selectively reduce decerebrate rigidity in the cat

  摘要：

  A series of 2-acylthioxanthene-delta 9 (gamma)-propylamines was synthesized, and their effect of reducing the intercollicular decerebrate rigidity in the cat was evaluated. The compound exhibiting the greatest separation between the dosage that reduced rigidity and that which caused sedation was (Z)-2-propionyl-9-[3-(dimethylamino)propylidene]thioxanthene. The separation of Z and E isomers was monitored by 1H NMR spectroscopy, using an europium shift reagent.

  DOI：

  10.1021/jm00180a014
• 作为产物：
  描述：

  2-[(2-羧基-4-氯苯基)二硫烷基]-5-氯苯甲酸 在 铜 、 sodium carbonate 、 溶剂黄146 、 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(4-Acetylphenylthio)-5-chlorbenzoesaeure
  参考文献：
  名称：

  Synthesis of 2-acetyl and 3-acetyl derivatives of 8-chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo[b,f]-thiepin; 2-Acyl-7-substituted thioxanthenes

  摘要：

  DOI：

  10.1135/cccc19780471

文献信息

• SINDELAR K.; JILEK J. O.; POMYKACEK J.; SEDIVY Z.; PROTIVA M., COLLECT. CZECH. CHEM. COMMUNS <CCCC-AK>, 1978, 43, NO 2, 471-497
  作者：SINDELAR K.、 JILEK J. O.、 POMYKACEK J.、 SEDIVY Z.、 PROTIVA M.

  DOI：——

  日期：——
• Synthesis of 2-acetyl and 3-acetyl derivatives of 8-chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo[b,f]-thiepin; 2-Acyl-7-substituted thioxanthenes
  作者：Karel Šindelář、Jiří O. Jílek、Josef Pomykáček、Zdeněk Šedivý、Miroslav Protiva

  DOI：10.1135/cccc19780471

  日期：——
• Acylthioxanthenes: agents which selectively reduce decerebrate rigidity in the cat
  作者：Michael J. Ashton、Robert F. Chapman、Anthony H. Loveless

  DOI：10.1021/jm00180a014

  日期：1980.6

  A series of 2-acylthioxanthene-delta 9 (gamma)-propylamines was synthesized, and their effect of reducing the intercollicular decerebrate rigidity in the cat was evaluated. The compound exhibiting the greatest separation between the dosage that reduced rigidity and that which caused sedation was (Z)-2-propionyl-9-[3-(dimethylamino)propylidene]thioxanthene. The separation of Z and E isomers was monitored by 1H NMR spectroscopy, using an europium shift reagent.