666816-98-4 8-溴-7-(2-丁炔-1-基)-3-甲基黄嘌呤

中文名称: 8-溴-7-(2-丁炔-1-基)-3-甲基黄嘌呤
英文名称: 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS号

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名称和标识

中文名: 8-溴-7-(2-丁炔-1-基)-3-甲基黄嘌呤
英文名: 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS号: 666816-98-4
分子式: C10H9BrN4O2
分子量: 297.11
中文别名: 8-溴-7-(2-丁炔基)-3,7-二氢-3-甲基-1H-嘌呤-2,6-二酮; 8-溴-7-(2-丁炔)-3-甲基黄嘌呤; 8-溴-7-(2-丁炔)-3-甲基-1H-嘌呤-2,6(3H,7H)-二酮; 8-溴-7-(2-丁炔基)-3-甲基黄嘌呤
英文别名: 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione; 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione; 8-Bromo-7-(2-butyn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione; 8-Bromo-7-(but-2-ynyl)-3-methyl-3,7-dihydropurine-2,6-dione; 8-Bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione; 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione

物化属性

LogP: 1.62
PSA: 72.68 Å²
储存条件: 室温
外观: 白色或类白色结晶性固体
密度: 1.7±0.1 g/cm³
折射率

安全信息

安全说明

运输信息：常温运输。危险描述：非危险化学品。

生产及用途

用途与制备

化学合成，医药利拉利汀中间体；利拉利汀中间体。

医药

路线1：

步骤: 1g（0.0041mol）8-溴-3-甲基-1H-嘌呤-2,6（3H，7H）-二酮（化合物VI），四氢呋喃（50mL），二异丙基乙胺（DIPEA，0.68g，0.0053mol），1-溴-2-丁炔（0.54g，0.0041mol）和碘化钾（0.014g，0.084mmol）加入反应烧瓶，氮气保护下加入三丁基甲基氯化铵（0.47g，0.002mol），加热回流1-2小时，冷却后加水，过滤干燥得产物。
条件: With N-ethyl-N,N-diisopropylamine; methyl tributylammonium chloride; potassium iodide In tetrahydrofuran; Inert atmosphere; Reflux
收率: 93%
参考文献: [1] Patent: US2015/274728, 2015, A1. Location in patent: Paragraph 0056-0060 [2] Patent: , 2016, . Location in patent: Paragraph 0097;0098 [3] Patent: WO2014/97314, 2014, A1. Location in patent: Page/Page column 9 [4] Patent: CN104292228, 2016, B. Location in patent: Paragraph 0057-0058; 0089-0092 [5] Journal of Medicinal Chemistry, 2007, vol. 50, # 26, p. 6450 - 6453 [6] Patent: WO2005/51950, 2005, A1. Location in patent: Page/Page column 19 [7] MedChemComm, 2013, vol. 5, # 11, p. 1700 - 1707 [8] European Journal of Medicinal Chemistry, 2014, vol. 83, p. 547 - 560 [9] Patent: EP2865680, 2015, A1. Location in patent: Paragraph 0035 [10] Patent: US2015/183788, 2015, A1. Location in patent: Paragraph 0047-0048 [11] Patent: CN103936737, 2016, B. Location in patent: Paragraph 0059; 0061; 0062; 0063 [12] Patent: CN103936740, 2016, B. Location in patent: Paragraph 0052; 0053; 0054 [13] Patent: EP3305787, 2018, A1. Location in patent: Page/Page column 0025; 0026; 0027 [14] Patent: WO2005/85246, 2005, A1. Location in patent: Page/Page column 32 [15] Patent: WO2004/46148, 2004, A1. Location in patent: Page/Page column 40 [16] Patent: US2005/234108, 2005, A1. Location in patent: Page/Page column 9 [17] Patent: US2005/143377, 2005, A1. Location in patent: Page/Page column 7 [18] Patent: CN103709163, 2016, B. Location in patent: Paragraph 0146-0148 [19] Patent: CN105936634, 2016, A. Location in patent: Paragraph 0116; 0117 [20] Patent: CN104211702, 2018, B. Location in patent: Paragraph 0174; 0187; 0188 [21] Patent: WO2013/98775, 2013, A1. Location in patent: Page/Page column 11 [22] Patent: US2013/123282, 2013, A1. Location in patent: Paragraph 0181 [23] Patent: CN104592234, 2016, B. Location in patent: Paragraph 0052-0054 [24] Patent: CN105367572, 2016, A. Location in patent: Paragraph 0054; 0055; 0056; 0057; 0058; 0059; 0060 [25] Patent: CN104478879, 2016, B. Location in patent: Paragraph 0061; 0062; 0063; 0064; 0065; 0066 [26] Patent: CN104592235, 2016, B. Location in patent: Paragraph 0055; 0056; 0057; 0058; 0059 [27] Patent: CN105503872, 2016, A. Location in patent: Paragraph 0026; 0027; 0028 [28] Patent: CN105541844, 2016, A. Location in patent: Paragraph 0029