5-溴-2-甲基-3-((四氢-2H-吡喃-4-基)氨基)苯甲酸甲酯 | 1403257-49-7
中文名称
5-溴-2-甲基-3-((四氢-2H-吡喃-4-基)氨基)苯甲酸甲酯
中文别名
——
英文名称
methyl 5-bromo-2-methyl-3-((tetrahydro-2H-pyran-4-yl)amino)benzoate
英文别名
methyl 5-bromo-2-methyl-3-[(oxan-4-yl)amino]benzoate；2-methyl-3-[(tetrahydro-2H-pyran-4-yl)amino]-5-bromobenzoic acid methyl ester；methyl 5-bromo-2-methyl-3-(oxan-4-ylamino)benzoate
CAS
1403257-49-7
化学式
C14H18BrNO3
mdl
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分子量
328.206
InChiKey
SGCILHRPCZDQGD-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：440.7±45.0 °C(Predicted)
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密度：1.409±0.06 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：3.2
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重原子数：19
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可旋转键数：4
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环数：2.0
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sp3杂化的碳原子比例：0.5
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拓扑面积：47.6
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氢给体数：1
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氢受体数：4
安全信息
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储存条件：存储条件：2-8°C，密封，干燥。
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 2-甲基-3-氨基-5-溴苯甲酸甲酯 methyl 3-amino-5-bromo-2-methylbenzoate 1000342-11-9 C9H10BrNO2 244.088 5-溴-2-甲基-3-硝基苯甲酸甲酯 methyl 5-bromo-2-methyl-3-nitrobenzoate 220514-28-3 C9H8BrNO4 274.071 2-甲基-3-硝基-5-溴苯甲酸 5-bromo-2-methyl-3-nitrobenzoic acid 107650-20-4 C8H6BrNO4 260.044 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— mono-5-bromo-2-methyl-3-((tetrahydro-2H-pyran-4-yl)amino)benzoic acid 1403595-70-9 C13H16BrNO3 314.179 —— methyl 5-bromo-2-methyl-3-(methyl(tetrahydro-2H-pyran-4-yl)amino)benzoate 1403257-50-0 C15H20BrNO3 342.233 5-溴-3-(乙基(四氢-2H-吡喃-4-基)氨基)-2-甲基苯甲酸甲酯 methyl 5-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoate 1403257-79-3 C16H22BrNO3 356.26 —— methyl 5-bromo-2-methyl-3-(propyl(tetrahydro-2H-pyran-4-yl)amino)benzoate 1403257-96-4 C17H24BrNO3 370.286 —— methyl 5-bromo-3-(isobutyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoate 1403257-99-7 C18H26BrNO3 384.313 —— 5-Bromo-2-methyl-3-[methyl(oxan-4-yl)amino]benzoic acid 1403257-52-2 C14H18BrNO3 328.206 —— methyl 5-bromo-3-((2-methoxyethyl)(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoate 1403258-57-0 C17H24BrNO4 386.286 —— methyl 5-bromo-3-((cyclopropylmethyl)(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoate 1403258-02-5 C18H24BrNO3 382.297 5-溴-3-(乙基(四氢-2H-吡喃-4-基)氨基)-2-甲基苯甲酸 5-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoic acid 1403257-81-7 C15H20BrNO3 342.233 —— methyl 5-bromo-3-[(2,2-difluoroethyl)(oxan-4-yl)amino]-2-methylbenzoate 1403258-63-8 C16H20BrF2NO3 392.241 —— methyl 5-bromo-2-methyl-3-[(oxan-4-yl)(2,2,2-trifluoroethyl)amino]benzoate 1403258-43-4 C16H19BrF3NO3 410.231 —— 5-Bromo-2-methyl-3-[oxan-4-yl(propyl)amino]benzoic acid 1403257-98-6 C16H22BrNO3 356.26 —— methyl 5-bromo-2-methyl-3-(N-(tetrahydro-2H-pyran-4-yl)acetamido) benzoate 1403258-17-2 C16H20BrNO4 370.243 —— 5-bromo-3-[(2,2-difluoroethyl)(oxan-4-yl)amino]-2-methylbenzoic acid 1403258-64-9 C15H18BrF2NO3 378.214 —— 5-bromo-2-methyl-3-[(oxan-4-yl)(2,2,2-trifluoroethyl)amino]benzoic acid 1403258-44-5 C15H17BrF3NO3 396.204 —— methyl 5-(azetidin-3-yl)-2-methyl-3-[methyl(oxan-4-yl)amino]benzoate 1403596-19-9 C18H26N2O3 318.416 —— methyl 2-methyl-3-[methyl(oxan-4-yl)amino]-5-(1-methylazetidin-3-yl)benzoate 1403596-20-2 C19H28N2O3 332.443 —— methyl 5-(azetidin-3-yl)-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate 1403596-25-7 C19H28N2O3 332.443 —— methyl 3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(1-methylazetidin-3-yl)benzoate 1403596-26-8 C20H30N2O3 346.47 —— methyl 4-methyl-4'-(morpholinomethyl)-5-[(tetrahydro-2H-pyran-4-yl)amino]-(1,1'-biphenyl)-3-carboxylate 1403258-11-6 C25H32N2O4 424.54 —— 2-methyl-3-[methyl(oxan-4-yl)amino]-5-(1-methylazetidin-3-yl)benzoic acid 1403597-89-6 C18H26N2O3 318.416 —— 3-[Ethyl(oxan-4-yl)amino]-2-methyl-5-(1-methylazetidin-3-yl)benzoic acid 1403597-90-9 C19H28N2O3 332.443 —— tert-butyl 3-[3-(methoxycarbonyl)-4-methyl-5-[methyl(oxan-4-yl)amino]phenyl]azetidine-1-carboxylate 1403596-17-7 C23H34N2O5 418.533 —— methyl 5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxylate —— C27H36N2O4 452.594 —— tert-butyl 4-((3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-5-(methoxycarbonyl)-4-methylphenyl)ethynyl)piperidine-1-carboxylate 1598383-59-5 C28H40N2O5 484.636 —— tert-butyl 3-{3-[ethyl(oxan-4-yl)amino]-5-(methoxycarbonyl)-4-methylphenyl}azetidine-1-carboxylate 1403596-13-3 C24H36N2O5 432.56 —— 5-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-2-methyl-3-[methyl(oxan-4-yl)amino]benzoic acid 1403596-16-6 C22H32N2O5 404.506 —— 5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxylic acid —— C26H34N2O4 438.567 —— 5-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoic acid 1403596-14-4 C23H34N2O5 418.533 —— 5-((1-(tert-butoxycarbonyl)piperidin-4-yl)ethynyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoic acid 1598383-60-8 C27H38N2O5 470.609 —— 5-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-3-((tetrahydro-2H-pyran-4-yl)amino)benzamide 1403590-75-9 C21H26BrN3O3 448.36 —— 5-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-3-(methyl(tetrahydro-2H-pyran-4-yl)amino)benzamide 1403257-51-1 C22H28BrN3O3 462.387 —— 5-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-N-((4-(hydroxymethyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methylbenzamide 1403258-16-1 C23H30BrN3O4 492.413 - 1
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反应信息
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作为反应物：描述：5-溴-2-甲基-3-((四氢-2H-吡喃-4-基)氨基)苯甲酸甲酯 在 四(三苯基膦)钯 、 水 、 sodium carbonate 、 溶剂黄146 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 二甲基亚砜 、 1,2-二氯乙烷 为溶剂， 反应 8.5h， 生成 N-[(1,2-二氢-4,6-二甲基-2-氧代-3-吡啶基)甲基]-5-[乙基(四氢-2H-吡喃-4-基)氨基]-4-甲基-4'-(4-吗啉基甲基)-[1,1'-联苯]-3-甲酰胺