zinc mercaptide of 2-amino-4-trifluoromethylbenzenethiol | 368-75-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: zinc mercaptide of 2-amino-4-trifluoromethylbenzenethiol
• 英文别名: zinc 2-amino-4-trifluoromethylbenzenethiolate；2-amino-4-trifluoromethylthiophenol Zn salt；2-amino-4-trifluoromethyl-benzenethiol; zinc salt (2:1)
• CAS: 368-75-2
• 化学式: 2C₇H₅F₃NS*Zn
• 分子量: 449.759
• InChiKey: ZRVPGUVEIDJKKY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.19
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  zinc mercaptide of 2-amino-4-trifluoromethylbenzenethiol 以 乙醇 为溶剂， 反应 10.0h， 生成 6,13-dibromo-2-trifluoromethyl-benzo[5,6][1,4]thiazino[2,3-b]phenothiazine
  参考文献：
  名称：

  Saxena,S.K. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1976, vol. 14, p. 808 - 809

  摘要：

  DOI：

文献信息

• Syntheses of some hydroxylated metabolites of psychotropic trifluoromethyl analogs of chlorpromazine
  作者：E. A. Nodiff、H. L. Sharma、P. C. Taunk、A. P. Shukla、M. D. Sadhnani、S. B. Tambi、R. L. Mital

  DOI：10.1002/jhet.5570180807

  日期：1981.12

  derivatives of trifluoperazine, nor,-trifluoperazine, fluphenazine, triflupromazine and nor,-triflupromazine are described. These were prepared as analytical standards for the identification of these metabolites in biological materials.

  描述了三氟哌嗪，nor，三氟哌嗪，氟奋乃静，三氟丙嗪和nor，三氟丙嗪的7-羟基衍生物的合成。这些被制备为用于鉴定生物材料中这些代谢物的分析标准。
• Fluorinated tricyclic neuroleptics with prolonged action: 3-Fluoro-8-trifluoromethyl derivatives of 10-(4-methylpiperazino)- and 10-[4-(2-hydroxyethyl)piperazino]-10,11-dihydrodibenzo-[b,f]thiepin
  作者：Karel Šindelář、Miroslav Ryska、Jiří Holubek、Emil Svátek、Jiřina Metyšová、Jiří Protiva、Miroslav Protiva

  DOI：10.1135/cccc19810118

  日期：——

  A reaction of (4-fluoro-2-iodophenyl)acetic acid with 4-(trifluoromethyl)thiophenol gave the acid VIII which was cyclized with the reagent consisting from methanesulphonic acid and phosphorus pentoxide and afforded the methanesulphonic enol ester XIX. The alkaline hydrolysis resulted in 3-fluoro-8-trifluoromethyldibenzo[b,f]thiepin-10(11H)-one (XVI) which was transformed via the alcohol XXIV to the chloro derivative XXV. Substitution reactions with 1-methylpiperazine and 1-(2-hydroxyethyl)piperazine resulted in the title compounds IV and V. These products are very potent cataleptic neuroleptic agents with a prolongation of duration of the effects comparable to that of isofloxythepin and tefluthixol. A series of further synthetic experiments aimed at alternative syntheses of the acid VIII and the ketone XVI; their results were mostly not of use for preparative purpose but they led to isolation and characterization of a series of interesting heterocyclic products (XVII, XVIII, XXII, XXIII, XXIX-XXXI, XXXVI-XXXIX).

  (4-氟-2-碘苯基)乙酸与4-(三氟甲基)硫代苯酚反应，生成酸VIII，然后与由甲磺酸和五氧化二磷组成的试剂环化，生成甲磺酸烯基酯XIX。碱性水解产生3-氟-8-三氟甲基二苯并[bf]噻吩-10(11H)-酮(XVI)，通过醇XXIV转化为氯衍生物XXV。与1-甲基哌嗪和1-(2-羟乙基)哌嗪的取代反应产生IV和V。这些产物是非常有效的猫病性镇静剂，其效果持续时间延长，与异氟沙替平和替氟西乐相当。一系列进一步的合成实验旨在寻找酸VIII和酮XVI的替代合成方法；它们的结果大多数并没有用于制备目的，但导致了一系列有趣的杂环产物(XVII、XVIII、XXII、XXIII、XXIX-XXXI、XXXVI-XXXIX)的分离和表征。
• Studies on Heterocyclic Colouring Matters Part II: ?2,2? -Bi (2H-1, 4-benzothiazines)
  作者：B. L. Kaul

  DOI：10.1002/hlca.19740570846

  日期：——

  of formation, colour and other relevant properties of this system have been investigated in relation to known thioindigos. A synthesis of the basic skeleton of one of the ‘Trichosiderins’, the colouring matters of human red hair, is reported.

  一种新的单步的Δ的“逆靛蓝合成” 2,2' -bi（3,4-二氢-3-氧代-2- ħ -1,4-苯并噻嗪）发色团进行说明。已经针对已知的硫靛蓝研究了该系统的结构，取代反应，形成机理，颜色和其他相关特性。据报道，一种“ Trichosiderins”的基本骨架是人类红头发的着色物质的合成。
• Yadav, Ashok K.; Gupta, Manisha, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014, vol. 53B, # 12, p. 1568 - 1573
  作者：Yadav, Ashok K.、Gupta, Manisha

  DOI：——

  日期：——
• Yale,H.L. et al., Journal of Heterocyclic Chemistry, 1972, vol. 9, p. 899 - 909
  作者：Yale,H.L. et al.

  DOI：——

  日期：——