2-[(1E)-trifluoromethyl-methylidene]toluenesulfonyl-hydrazone | 888071-59-8

• 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: 2-[(1E)-trifluoromethyl-methylidene]toluenesulfonyl-hydrazone
• 英文别名: 4-methyl-N-[(E)-2,2,2-trifluoroethylideneamino]benzenesulfonamide
• CAS: 888071-59-8
• 化学式: C₉H₉F₃N₂O₂S
• 分子量: 266.244
• InChiKey: SWSZVGYIAOIIRQ-AWNIVKPZSA-N

物化性质

• 沸点：
  298.9±50.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.82
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  58.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-methylbenzenediazonium tetrafluoroborate 、 2-[(1E)-trifluoromethyl-methylidene]toluenesulfonyl-hydrazone 在 sodium t-butanolate 作用下， 以 二甲基亚砜 为溶剂， 以45 %的产率得到2-(p-tolyl)-5-(trifluoromethyl)-2H-tetrazole
  参考文献：
  名称：

  [EN] BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES
  [FR] DÉRIVÉS BICYCLIQUES DE TÉTRAHYDROTHIAZÉPINE

  摘要：

  The present invention provides new bicyclic tetrahydrothiazepine derivatives having the general formula (I) wherein R1, R2and R4are as defined herein, compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds.

  公开号：

  WO2024033389A1
• 作为产物：
  描述：

  2,2,2-三氟乙醛 、 对甲苯磺酰肼 以 甲醇 为溶剂， 生成 2-[(1E)-trifluoromethyl-methylidene]toluenesulfonyl-hydrazone
  参考文献：
  名称：

  Design, Synthesis, and in Vivo SAR of a Novel Series of Pyrazolines as Potent Selective Androgen Receptor Modulators

  摘要：

  A novel series of pyrazolines 2 have been designed, synthesized, and evaluated by in vivo screening as tissue-selective androgen receptor modulators (SARMs). Structure- activity relationships (SAR) were investigated at the R-1 to R-6 positions as well as the core pyrazoline ring and the anilide linker. Overall, strong electron-withdrawing groups at the RI and 2 positions and a small group at the R1 and RI position are optimal for AR agonist activity. The (S)-isomer of 7c exhibits more potent AR agonist activity than the corresponding (R)-isomer. (S)-7c exhibited an overall partial androgenic effect but full anabolic effect via oral administration in castrated rats. It demonstrated a noticeable antiandrogenic effect on prostate in intact rats with endogenous testosterone. Thus, (S)-7c is a tissue-selective nonsteroidal androgen receptor modulator with agonist activity on muscle and mixed agonist and antagonist activity on prostate.

  DOI：

  10.1021/jm0613976