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化合物简介
4-Pyrazoleboronic Acid Pinacol Ester is used in the preparation of Rho kinase (ROCK) inhibitors as wella s other biologically active compounds.
基本信息
CAS:269410-08-4
中文别名:2-二氧硼烷-2-基)-1H-吡唑;1H-吡唑-4-硼酸频哪醇酯;4-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)吡唑;吡唑-4-硼酸凤梨醇酯;
英文别名:4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-(4-Pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;Pyrazole-4-boronic;2-(1H-Pyrazole-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole;1H-Pyrazole-4-Boronic Acid Pinacol Ester;4-Pyrazoleboronic acid pinacol ester;1h-pyrazole-4-boronic acid,pinacol ester;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-Tetramethyl-2-(1H-pyrazol-4-yl)-1,3,2-dioxaborolane;4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;Pyrazole-4-boronic acid pinacol ester;
分子式:C9H15BN2O2
分子量:194.039
精确质量:194.123
Psa:47.14
Logp:0.7089
中文别名:2-二氧硼烷-2-基)-1H-吡唑;1H-吡唑-4-硼酸频哪醇酯;4-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)吡唑;吡唑-4-硼酸凤梨醇酯;
英文别名:4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-(4-Pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;Pyrazole-4-boronic;2-(1H-Pyrazole-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole;1H-Pyrazole-4-Boronic Acid Pinacol Ester;4-Pyrazoleboronic acid pinacol ester;1h-pyrazole-4-boronic acid,pinacol ester;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-Tetramethyl-2-(1H-pyrazol-4-yl)-1,3,2-dioxaborolane;4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;Pyrazole-4-boronic acid pinacol ester;
分子式:C9H15BN2O2
分子量:194.039
精确质量:194.123
Psa:47.14
Logp:0.7089
编号系统
MDL号:MFCD03453063
物化性质
外观与性状:灰白色至黄褐色的粉末
密度:1.09g/cm3
沸点:335.4ºC at 760mmHg
熔点:142-146°C(lit.)
闪点:156.6ºC
折射率:1.487
水溶解性:insoluble
储存条件:Refrigerator (+4ºC)
蒸汽压:0mmHg at 25°C
密度:1.09g/cm3
沸点:335.4ºC at 760mmHg
熔点:142-146°C(lit.)
闪点:156.6ºC
折射率:1.487
水溶解性:insoluble
储存条件:Refrigerator (+4ºC)
蒸汽压:0mmHg at 25°C
安全信息
安全说明:S26-S36
危险类别码:R36/37/38
WGK Germany:3
海关编码:2933199090
危险品标志:Xi
信号词:Warning
危险性防范说明:P261; P305 + P351 + P338
危险标志:GHS07
危险性描述:H315; H319; H335
危险类别码:R36/37/38
WGK Germany:3
海关编码:2933199090
危险品标志:Xi
信号词:Warning
危险性防范说明:P261; P305 + P351 + P338
危险标志:GHS07
危险性描述:H315; H319; H335
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict
