1-[1-(2-chlorophenyl)-2-phenylthio]-1H-benzotriazole | 261957-84-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-[1-(2-chlorophenyl)-2-phenylthio]-1H-benzotriazole
• 英文别名: 1-[(2-Chlorophenyl)-phenylsulfanylmethyl]benzotriazole
• CAS: 261957-84-0
• 化学式: C₁₉H₁₄ClN₃S
• 分子量: 351.859
• InChiKey: INEVNFZZCKNYQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-methylbut-1-enyl)-piperidine 、 1-[1-(2-chlorophenyl)-2-phenylthio]-1H-benzotriazole 在 zinc dibromide 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 以40%的产率得到2-[(2-chlorophenyl)phenylthiomethyl]-3-methylbutanal
  参考文献：
  名称：

  Katritzky, Alan R.; Fang, Yunfeng; Feng, Daming, Heterocycles, 2000, vol. 53, # 2, p. 331 - 337

  摘要：

  DOI：
• 作为产物：
  描述：

  T406石油添加剂 、 2-氯苯甲醛 、 苯硫酚 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 1-[1-(2-chlorophenyl)-2-phenylthio]-1H-benzotriazole
  参考文献：
  名称：

  Efficient Syntheses of Thiochromans via Cationic Cycloadditions

  摘要：

  alpha-(Benzotriazolyl)methyl thioethers la-e reacted with styrenes under Lewis acid catalysis to give novel polysubstituted thiochromans (3,4-dihydro-2H-1-benzothiopyrans) 3-14 and 16-20 in generally high yields. Most thiochromans were isolated as one diastereomer following recrystallization. The configuration and conformation of the products are predicted on the basis of their NMR data. A stepwise reaction, proceeding via a [4(+) + 2] cationic polar cycloaddition mechanism, is proposed.

  DOI：

  10.1021/jo001571c

文献信息

• Efficient Syntheses of Thiochromans via Cationic Cycloadditions
  作者：Alan R. Katritzky、Martin A. C. Button

  DOI：10.1021/jo001571c

  日期：2001.8.1

  alpha-(Benzotriazolyl)methyl thioethers la-e reacted with styrenes under Lewis acid catalysis to give novel polysubstituted thiochromans (3,4-dihydro-2H-1-benzothiopyrans) 3-14 and 16-20 in generally high yields. Most thiochromans were isolated as one diastereomer following recrystallization. The configuration and conformation of the products are predicted on the basis of their NMR data. A stepwise reaction, proceeding via a [4(+) + 2] cationic polar cycloaddition mechanism, is proposed.
• Katritzky, Alan R.; Fang, Yunfeng; Feng, Daming, Heterocycles, 2000, vol. 53, # 2, p. 331 - 337
  作者：Katritzky, Alan R.、Fang, Yunfeng、Feng, Daming、Silina, Alina、Prakash, Indra

  DOI：——

  日期：——