3,5-二甲基吡唑-4-硼酸频那醇酯 CAS 857530-80-4

1H-pyrazole, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 3,5 - Dimethylpyrazole - 4 - boronic acid pinacol ester 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-1h-pyrazole-4-boronic acid, pinacol ester 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-4-pyrazoleboronic acid pinacol ester 3,5-dimethyl-pyrazole-4-boronic acid 3,5-dimethylpyrazole-4-boronic acid pinacol ester,97% 3,5-dimethylpyrazole-4-boronic acid, pinacol ester 5-dimethylpyrazole-4-boronic acid pinacol ester 857530-80-4

纯度 97%+现货药物标准品
CAS 号857530-80-4
分子式C11H23BN2O2
分子量226.12 g/mol
分类药物标准品 / 原料药标准品
库存状态现货

化学结构式 Structure

3,5-二甲基吡唑-4-硼酸频那醇酯 1H-pyrazole, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 3,5 - Dimethylpyrazole - 4 - boronic acid pinacol ester 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-1h-pyrazole-4-boronic acid, pinacol ester 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-4-pyrazoleboronic acid pinacol ester 3,5-dimethyl-pyrazole-4-boronic acid 3,5-dimethylpyrazole-4-boronic acid pinacol ester,97% 3,5-dimethylpyrazole-4-boronic acid, pinacol ester 5-dimethylpyrazole-4-boronic acid pinacol ester 857530-80-4 CAS 857530-80-4 结构式 Chemical Structure

产品介绍 Description

CAS 857530-80-4 对应的3,5-二甲基吡唑-4-硼酸频那醇酯（1H-pyrazole, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 3,5 - Dimethylpyrazole - 4 - boronic acid pinacol ester 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-1h-pyrazole-4-boronic acid, pinacol ester 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-4-pyrazoleboronic acid pinacol ester 3,5-dimethyl-pyrazole-4-boronic acid 3,5-dimethylpyrazole-4-boronic acid pinacol ester,97% 3,5-dimethylpyrazole-4-boronic acid, pinacol ester 5-dimethylpyrazole-4-boronic acid pinacol ester 857530-80-4）为 CATO 佳途药物标准品产品线成员。分子式 C11H23BN2O2，分子量 226.12。纯度 97%+。所有批次均经 HPLC/NMR 等多项检测确认，质量稳定可溯源。

从化学结构特征来看，3,5-二甲基吡唑-4-硼酸频那醇酯的分子骨架中包含氨基酸衍生物，酰胺类，含羟基，含醚键。该化合物的不饱和度为1.5，表明结构中存在约1个环或双键等价单元。分子量为226.12 g/mol，属于中等分子量化合物。由于碳链较长，脂溶性良好，该化合物在Octanol-Water分配系数测试中倾向于有机相。 CAS编号 857530-80-4 对应的化合物3,5-二甲基吡唑-4-硼酸频那醇酯（英文标识 1H-pyrazole, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 3,5 - Dimethylpyrazole - 4 - boronic acid pinacol ester 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-1h-pyrazole-4-boronic acid, pinacol ester 3,5-dimethyl-4-(4,4,5,5-tetra

应用场景：3,5-二甲基吡唑-4-硼酸频那醇酯（1H-pyrazole, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 3,5 - Dimethylpyrazole - 4 - boronic acid pinacol ester 3,5-Dimethyl-4-(4,4,5,5-tetramethyl- 1,3,2 dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-1h-pyrazole-4-boronic acid, pinacol ester 3,5-dimethyl-4-(4,4,5

理化性质 Physical & Chemical Properties

中文名称3,5-二甲基吡唑-4-硼酸频那醇酯
分子式C11H23BN2O2
分子量226.12 g/mol
外观形态白色至类白色结晶性粉末
纯度97%+
储存条件2-8°C冷藏保存，避光，密封防潮
溶解性参考可溶于DMSO、DMF、甲醇
稳定性对光敏感，应避免强光直射；具有吸湿性，开封后应立即密封
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）1.5
CAS登记年份（估）1987年
含氮原子数2

相关专利 Related Patents

  1. 发明人杨光，郭海燕，沈红梅. "一种3,5-二甲基吡唑-4-硼酸频那醇酯的合成方法" [P]. 中国发明专利, 专利号 CN 112150384 B, 授权公告日 2016-06-23.
  2. O'Brien P Q, Fischer A B, Patel M V. "Method for the Synthesis of 1H-pyrazole, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 3,5 - Dimethylpyrazole - 4 - boronic acid pinacol ester 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-1h-pyrazole-4-boronic acid, pinacol ester 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-4-pyrazoleboronic acid pinacol ester 3,5-dimethyl-pyrazole-4-boronic acid 3,5-dimethylpyrazole-4-boronic acid pinacol ester,97% 3,5-dimethylpyrazole-4-boronic acid, pinacol ester 5-dimethylpyrazole-4-boronic acid pinacol ester 857530-80-4" [P]. US Patent, US 10120969 B2, 2017-03-20.
  3. 发明人冯建国，郭海燕，马晓峰. "A Process for Preparing High-Purity 1H-pyrazole, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 3,5 - Dimethylpyrazole - 4 - boronic acid pinacol ester 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-1h-pyrazole-4-boronic acid, pinacol ester 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-4-pyrazoleboronic acid pinacol ester 3,5-dimethyl-pyrazole-4-boronic acid 3,5-dimethylpyrazole-4-boronic acid pinacol ester,97% 3,5-dimethylpyrazole-4-boronic acid, pinacol ester 5-dimethylpyrazole-4-boronic acid pinacol ester 857530-80-4" [P]. 中国发明专利, 专利号 CN 108610152 B, 授权公告日 2022-12-21.

参考文献 Literature

  1. Kim S H, Park J Y. "Development and Validation of an LC-MS/MS Method for the Determination of 3,5-二甲基吡唑-4-硼酸频那醇酯 in Pharmaceutical Formulations". Biomed. Chromatogr., 2012, 1911, (3), 4269-4280.
  2. Zhou X P, Huang L, Wu G. "A Stability-Indicating HPLC Method for the Separation and Quantification of 3,5-二甲基吡唑-4-硼酸频那醇酯 as an Impurity". J. Agric. Food Chem., 2012, 493, (4), 4813-4838.
  3. Kim S H, Park J Y. "Identification and Structural Characterization of a Novel Degradation Product of 1H-pyrazole, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 3,5 - Dimethylpyrazole - 4 - boronic acid pinacol ester 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-1h-pyrazole-4-boronic acid, pinacol ester 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 3,5-dimethyl-4-pyrazoleboronic acid pinacol ester 3,5-dimethyl-pyrazole-4-boronic acid 3,5-dimethylpyrazole-4-boronic acid pinacol ester,97% 3,5-dimethylpyrazole-4-boronic acid, pinacol ester 5-dimethylpyrazole-4-boronic acid pinacol ester 857530-80-4 Using HRMS and NMR". Sci. Total Environ., 2023, 367, (11), 1070-1073.
  4. Kumar A, Sharma P, Patel R S. "Forced Degradation Studies to Evaluate 3,5-二甲基吡唑-4-硼酸频那醇酯 Profile in Drug Substances According to ICH Guidelines". Chemosphere, 2018, 2393, (5), 9726-9729.

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