6-(N,N-diethylamino)-5-methyl-7-(methylsulfonyl)-1-phenyl-1H-benzotriazole | 113700-04-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-(N,N-diethylamino)-5-methyl-7-(methylsulfonyl)-1-phenyl-1H-benzotriazole
• 英文别名: N,N-diethyl-6-methyl-4-methylsulfonyl-3-phenylbenzotriazol-5-amine
• CAS: 113700-04-2
• 化学式: C₁₈H₂₂N₄O₂S
• 分子量: 358.464
• InChiKey: QBCNNDJEBTVRNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  76.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-(methylsulfonyl)-1-phenyl-1H-1,2,3-triazolo<4,5-d>pyridazine 、 1-(二乙氨基)丙炔 以56%的产率得到
  参考文献：
  名称：

  OISHI, ETSUO;YAMADA, AKIYA;HAYASHI, EISAKU;HIGASHINO, TAKEO, CHEM. AND PHARM. BULL., 35,(1987) N 7, 2686-2693

  摘要：

  DOI：

文献信息

• Condensed Pyridazines. VIII. Reaction of Diazolopyridazines with Ynamine. Formation of Benzodiazoles and Diazolodiazocines.
  作者：Etsuo OISHI、Naokata TAIDO、Akira MIYASHITA、Susumu SATO、Syouji OHTA、Hitoshi ISHIDA、Ken-ichi TANJI、Takeo HIGASHINO

  DOI：10.1248/cpb.39.1713

  日期：——

  Reaction of the 7-(methylsulfonyl)-1H-imidazo[4, 5-d]pyridazine (3) with 1-(N, N-diethylamino)-1-propyne (2) resulted in the formationo f the benzimidazole (5) and the 3H-imidazo[4, 5-d][1, 2]diazocine (4) through the [4+2]- and [2+2]-cycloadducts. Similarly, reaction of the 7-(methylsulfonyl)-(9) and the 7-cyano-1H-pyrazolo[3, 4-d]pyridazines (10) with 2 gave the corresponding indazoles (14, 16) and the 1H-pyrazolo[3, 4-d][1, 2]diazocines (15, 17). A similar reaction was also found to proceed between 7-(methylsulfonyl)-1H-1, 2, 3-triazolo[4, 5-d]pyridazine (18) and 2, affording the corresponding benzotriazole (20) and the 3H-1, 2, 3-triazolo[4, 5-d][1, 2]diazocine (19).

  7-(methylsulfonyl)-1H-imidazo[4, 5-d]pyridazine (3) 与 1-(N, N-diethylamino)-1-propyne (2) 反应，通过 [4+2]- 和 [2+2]-cycloadducts 生成苯并咪唑 (5) 和 3H-imidazo[4,5-d][1,2]diazocine (4)。同样，7-（甲磺酰基）-(9) 和 7-氰基-1H-吡唑并[3, 4-d]哒嗪 (10) 与 2 反应生成相应的吲唑 (14, 16) 和 1H-吡唑并[3, 4-d][1, 2]二氮杂环辛 (15, 17)。7- (甲磺酰基)-1H-1, 2, 3-三唑并[4, 5-d]哒嗪 (18) 和 2 之间也发生了类似的反应，生成了相应的苯并三唑 (20) 和 3H-1, 2, 3-三唑并[4, 5-d][1, 2]二氮杂环辛 (19)。
• Oishi, Etsuo; Yamada, Akiya; Hayashi, Eisaku, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 7, p. 2686 - 2693
  作者：Oishi, Etsuo、Yamada, Akiya、Hayashi, Eisaku、Higashino, Takeo

  DOI：——

  日期：——
• Oishi, Etsuo; Yamada, Akiya; Ota, Shoji, Heterocycles, 1986, vol. 24, # 1, p. 238
  作者：Oishi, Etsuo、Yamada, Akiya、Ota, Shoji、Higashino, Takeo

  DOI：——

  日期：——
• OISHI, ETSUO;YAMADA, AKIYA;HAYASHI, EISAKU;HIGASHINO, TAKEO, CHEM. AND PHARM. BULL., 35,(1987) N 7, 2686-2693
  作者：OISHI, ETSUO、YAMADA, AKIYA、HAYASHI, EISAKU、HIGASHINO, TAKEO

  DOI：——

  日期：——