2-amino-5-[1-(benzotriazol-1-yl)-1-ethylpropyl]-3-methylpyridine | 173960-23-1

• 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: 2-amino-5-[1-(benzotriazol-1-yl)-1-ethylpropyl]-3-methylpyridine
• 英文别名: 5-[1-(1H-1, 2,3-benzotriazol-1-yl)1-ethylpropyl]-3-methylpyridin-2-amine；5-[1-(1H-1,2,3-benzotriazol-1-yl)-1-ethylpropyl]-3-methylpyridin-2-amine；5-[1-(1H-1,2,3-benzotriazol-1-yl)1-ethylpropyl]-3-methylpyridin-2-amine；5-[3-(benzotriazol-1-yl)pentan-3-yl]-3-methylpyridin-2-amine
• CAS: 173960-23-1
• 化学式: C₁₇H₂₁N₅
• 分子量: 295.387
• InChiKey: CFLBTOZNAUQVBZ-UHFFFAOYSA-N

物化性质

• 沸点：
  508.6±50.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-amino-5-[1-(benzotriazol-1-yl)-1-ethylpropyl]-3-methylpyridine 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以58%的产率得到2-Amino-5-(1-ethylprop-1-enyl)-3-methylpyridine
  参考文献：
  名称：

  Synthesis and structure-activity relationships for anticipated molluscicidal activity of some 2-amino-5-substituted pyridine derivatives

  摘要：

  A series of 2-amino-5-substituted pyridine derivatives was synthesized and their molluscicidal activity against white garden, Theba pisana (Muller), and brown garden, Helix aspersa (Muller), snails was investigated by two methods of application. Some of these compounds showed strong activity under laboratory conditions against the two types of snail. T pisana was more sensitive to the tested compounds than H aspersa. The most effective compounds were 2-amino-5-(benzotriazole-1-ylmethyl)-3-methylpyridine, 2-amino-5-[1-(benzotriazole-1-yl)nonyl]-3-methylpyridine and 2-[(1,2,4-triazole-1-ylmethyl) amino]-3-methylpyridine which exhibited high molluscicidal activity. The toxicity results are discussed in relation to the chemical structures. (C) 1999 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(199912)55:12<1203::aid-ps82>3.0.co;2-9
• 作为产物：
  描述：

  2-氨基-3-甲基吡啶 在 对甲苯磺酸 正丁基锂 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 反应 72.25h， 生成 2-amino-5-[1-(benzotriazol-1-yl)-1-ethylpropyl]-3-methylpyridine
  参考文献：
  名称：

  Synthesis and structure-activity relationships for anticipated molluscicidal activity of some 2-amino-5-substituted pyridine derivatives

  摘要：

  A series of 2-amino-5-substituted pyridine derivatives was synthesized and their molluscicidal activity against white garden, Theba pisana (Muller), and brown garden, Helix aspersa (Muller), snails was investigated by two methods of application. Some of these compounds showed strong activity under laboratory conditions against the two types of snail. T pisana was more sensitive to the tested compounds than H aspersa. The most effective compounds were 2-amino-5-(benzotriazole-1-ylmethyl)-3-methylpyridine, 2-amino-5-[1-(benzotriazole-1-yl)nonyl]-3-methylpyridine and 2-[(1,2,4-triazole-1-ylmethyl) amino]-3-methylpyridine which exhibited high molluscicidal activity. The toxicity results are discussed in relation to the chemical structures. (C) 1999 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(199912)55:12<1203::aid-ps82>3.0.co;2-9

文献信息

• BICYCLIC HETEROCYCLIC COMPOUND
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1961745A1

  公开（公告）日：2008-08-27

  A compound represented by the formula (I), a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof: wherein X, Y, and W each independently represent a carbon atom or a nitrogen atom; Z represents CH or a nitrogen atom; R1 represents (1) C3-10 branched alkyl which may be substituted or (2) -(CH2)m-NR4R5; R2 and R3 each independently represent (1) a hydrogen atom, (2) C1-4 alkyl which may be substituted with a halogen atom, hydroxy which may be protected, amino which may be protected, or carboxyl which may be protected, (3) C2-4 alkenyl, (4) C2-4 alkynyl, (5) nitrile, (6) COOR6, (7) CONR7R8, (8) COR101, (9) S(O)nR102, or (10) a halogen atom, in which R6 represents a hydrogen atom or C1-4 alkyl, R7 and R8 each independently represent a hydrogen atom or C1-4 alkyl, R101 represents a hydrogen atom or C1-4 alkyl, R102 represents C1-4 alkyl, n represents 1 or 2; and Ar represents an aromatic ring which may be substituted, is useful as a pharmacologically active ingredient having a CRF antagonist action in preventing and/or treating neuropsychiatric diseases, diseases of peripheral organs or the like.

  公式（I）表示的化合物，其盐，其N-氧化物，其溶剂合物或其前药：其中X，Y和W分别独立表示碳原子或氮原子；Z表示CH或氮原子；R1表示（1）可能被取代的C3-10支链烷基或（2）-(CH2)m-NR4R5；R2和R3分别独立表示（1）氢原子，（2）可能被卤原子取代的C1-4烷基，可能被保护的羟基，可能被保护的氨基，或可能被保护的羧基，（3）C2-4烯基，（4）C2-4炔基，（5）腈基，（6）COOR6，（7）CONR7R8，（8）COR101，（9）S（O）nR102，或（10）卤原子，其中R6表示氢原子或C1-4烷基，R7和R8分别独立表示氢原子或C1-4烷基，R101表示氢原子或C1-4烷基，R102表示C1-4烷基，n表示1或2；Ar表示可能被取代的芳香环，用作在预防和/或治疗神经精神疾病，外周器官疾病等方面具有CRF拮抗作用的药理活性成分。
• Katritzky, Alan R.; El-Zemity, Saad; Lang, Hengyuan, Journal of the Chemical Society. Perkin transactions I, 1995, # 24, p. 3129 - 3134
  作者：Katritzky, Alan R.、El-Zemity, Saad、Lang, Hengyuan

  DOI：——

  日期：——
• Synthesis and structure-activity relationships for anticipated molluscicidal activity of some 2-amino-5-substituted pyridine derivatives
  作者：Saad R El-Zemity、Mohamed A Radwan

  DOI：10.1002/(sici)1096-9063(199912)55:12<1203::aid-ps82>3.0.co;2-9

  日期：1999.12

  A series of 2-amino-5-substituted pyridine derivatives was synthesized and their molluscicidal activity against white garden, Theba pisana (Muller), and brown garden, Helix aspersa (Muller), snails was investigated by two methods of application. Some of these compounds showed strong activity under laboratory conditions against the two types of snail. T pisana was more sensitive to the tested compounds than H aspersa. The most effective compounds were 2-amino-5-(benzotriazole-1-ylmethyl)-3-methylpyridine, 2-amino-5-[1-(benzotriazole-1-yl)nonyl]-3-methylpyridine and 2-[(1,2,4-triazole-1-ylmethyl) amino]-3-methylpyridine which exhibited high molluscicidal activity. The toxicity results are discussed in relation to the chemical structures. (C) 1999 Society of Chemical Industry.