CAS: 886230-75-7; (E)-6-Nitro-3-(2-(Pyridin-2-yl)Vinyl)-1-(Tetrahydro-2H-Pyran-2-yl)-1H-Indazole

• 英文名称(E)-6-Nitro-3-(2-(Pyridin-2-yl)Vinyl)-1-(Tetrahydro-2H-Pyran-2-yl)-1H-Indazole
• 中文名称(E)-6-硝基-3-[2-(吡啶-2-基)乙烯基]-1-(四氢-2H-吡喃-2-基)-1H-吲唑
• IUPAC名称(E)-6-nitro-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
• 其它别名(E)-6-Nitro-3-[2-(Pyridin-2-yl)Ethenyl]-1-(Tetrahydro-2H-Pyran-2-yl)-1H-Indazole; (E)-6-Nitro-3-[2-(Pyridin-2-yl)Ethenyl]-1-(Tetrahydro-2H-Pyran-2-yl); (E)-6-Nitro-3-(2-(Pyridin-2-yl)Vinyl)-1-(Tetrahydro-2H-Pyran-2-yl)-1H-Indazole; 6-Nitro-3-(E)-2-Pyridin-2-Yl-Vinyl)-1-(Tetrahydropyran-2-yl)-1H-Indazole; 6-Nitro-3-[(E)-2-(2-Pyridyl)Vinyl]-1-Tetrahydropyran-2-Yl-Indazol E; 1H-Indazole, 6-Nitro-3-[(1E)-2-(2-Pyridinyl)Ethenyl]-1-(Tetrahydro-2H-Pyran-2-yl)-; Axitinib Intermediate 2; (E)-6-Nitro-3-(2-(Pyridin-2-yl)Vinyl)-1-(Tetrahydro-2H-Pyran...
• CAS编号886230-75-7
• MFCD编号:MFCD19440924
• FDA UNII编号:CC9U9W4YNL
• 分子式:C19H18N4O3分子量:350.38
• 产品CID: 1901056
• 产品分类有机原料 → 杂环化合物 → 吲唑化合物

• 相似结构搜索
• InChIKey: BKXMYFOISYYOLE-JXMROGBWNA-N
• InChI=1S/C19H18N4O3/c24-23(25)15-8-9-16-17(10-7-14-5-1-3-11-20-14)21-22(18(16)13-15)19-6-2-4-12-26-19/h1,3,5,7-11,13,19H,2,4,6,12H2/b10-7+
• 计算化学: 氢键受体数4.0氢键供体数*可旋转键数4.0

物理性质

• 沸点570.9±50.0 °C at 760 mmHg
• 闪点299.1±30.1 °C
• 密度1.4±0.1 g/cm3
• pKa:4.20±0.10(预测)
• PSA:85.76
• LogP:3.32
• 折射率1.681
• 蒸汽压0.0±1.5 mmHg at 25°C
• 储存条件2-8°C

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P312-P330-P362-P403+P233-P501-

上下游产品

合成工艺路线路线简述

• 合成目标产物 (E)-6-Nitro-3-[2-(Pyridin-2-yl)Ethenyl]-1-(Tetrahydro-2H-Pyran-2-yl)-1H-Indazole 主要起始原料 2-Vinylpyridine And 3-Iodo-6-Nitro-1-(Tetrahydro-2H-Pyran-2-yl)-1H-Indazole
• 886230-74-6 = 886230-75-7
  反应条件:1.1 Reagents: Diisopropylethylamine Catalysts: Palladium Diacetate,Tri-O-Tolylphosphine Solvents: Dimethylformamide; 11 H,100 °C
  标题:Synthesis Of Axitinib
  作者:Hao,Gui-Yun; Huang,Wei; Cen,Jun-Da
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2014 卷标:24(4) 页码:298-302]
  
  1800295-32-2 + 110-87-2 = 886230-75-7
  反应条件:1.1 Catalysts: Methanesulfonic Acid Solvents: Tetrahydrofuran; 6 H,Reflux1.2 Reagents: Sodium Carbonate Solvents: Water; Neutralized
  标题:Effective Laboratory-Scale Preparation Of Axitinib By Two Cui-Catalyzed Coupling Reactions
  作者:Zhai,Li-Hai; Guo,Li-Hong; Luo,Yang-Hui; Ling,Yang; Sun,Bai-Wang
  参考文献:Organic Process Research & Development 日期:2015 卷标:19(7) 页码:849-857]
  
  1339955-82-6 = 886230-75-7
  反应条件:1.1 Reagents: Triethylamine,Sodium Bromide Catalysts: Triphenylphosphine,Tetrabutylammonium Bromide,Palladium Diacetate; 150 Min
  标题:Bromide-Assisted Chemoselective Heck Reaction Of 3-Bromoindazoles Under High-Speed Ball-Milling Conditions: Synthesis Of Axitinib
  作者:Yu,Jingbo; Hong,Zikun; Yang,Xinjie; Jiang,Yu; Jiang,Zhijiang; Et Al
  参考文献:Beilstein Journal Of Organic Chemistry 日期:2018 卷标:14 页码:786-795

海关参考信息

• 2901210000-乙烯
  2905121000-正丙醇
  2905130000-正丁醇
  2909110000-乙醚
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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管