3,5-二甲基异噁唑-4-硼酸频哪醇酯 CAS 832114-00-8
3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoxazole 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole 3,5-dimethyl-isoxazole-4-boronic acid pinacol ester 3,5-dimethylisoxazole-4-boronic acid pinacol ester 3,5-Dimethylisoxazole-4-boronic acid, pinacol ester 832114-00-8
| CAS 号 | 832114-00-8 |
| 分子式 | C11H22BNO3 |
| 分子量 | 227.11 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
产品介绍 Description
CAS 832114-00-8 对应的3,5-二甲基异噁唑-4-硼酸频哪醇酯（3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoxazole 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole 3,5-dimethyl-isoxazole-4-boronic acid pinacol ester 3,5-dimethylisoxazole-4-boronic acid pinacol ester 3,5-Dimethylisoxazole-4-boronic acid, pinacol ester 832114-00-8）为 CATO 佳途药物标准品产品线成员。分子式 C11H22BNO3，分子量 227.11。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。
在现行药典和法规框架下，药物标准品的合规要求中明确涉及对包括3,5-二甲基异噁唑-4-硼酸频哪醇酯在内的目标物的控制。 化学式为 C11H22BNO3 的3,5-二甲基异噁唑-4-硼酸频哪醇酯（3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoxazole 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole 3,5-dimethyl-isoxazole-4-boronic acid pinacol ester 3,5-dimethylisoxazole-4-boronic acid pinacol ester 3,5-Dimethylisoxazole-4-boronic acid, pinacol ester 832114-00-8），其CAS登记号是 832114-00-8，分子量为 227.11 g/mol。 受分子结构中氨基酸衍生物，酰胺类，含羟基，含醚键的影响，3,5-二甲基异噁唑-4-硼酸频哪醇酯表现为白色
应用场景：从实际应用出发，3,5-二甲基异噁唑-4-硼酸频哪醇酯（CAS 832114-00-8）在化学分析中作为关键的基准对照物质。 推荐以3,5-二甲基异噁唑-4-硼酸频哪醇酯配制标准系列工作溶液，用于建立标准曲线实现外标法定量。 建议使用甲醇/乙腈（1:1）为溶剂配制储备溶液，根据检测灵敏度需求逐级稀释。 使用建议： - 称量前将样品在干燥器内平衡至室温（约30分钟）； - 储备溶液建议用甲醇/乙腈（1:1）配制，于2-8°C冷藏保存，避光，密封防潮条件下储存； - 低浓度工作液（<10 μg/mL）建议当天配制使用，不宜长期存放； - 开启安瓿瓶/西林瓶后应在干燥环境下尽快使用，防止
理化性质 Physical & Chemical Properties
| 中文名称 | 3,5-二甲基异噁唑-4-硼酸频哪醇酯 |
| 分子式 | C11H22BNO3 |
| 分子量 | 227.11 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 | 可溶于甲醇、乙醇、DMSO |
| 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） | 1986年 |
| 含氮原子数 | 1 |
相关专利 Related Patents
- 发明人黄志刚，郑宇鹏，杨光. "一种3,5-二甲基异噁唑-4-硼酸频哪醇酯的合成方法" [P]. 中国发明专利, 专利号 CN 110751906 B, 授权公告日 2016-10-07.
- 发明人冯建国，林芳，高志强. "Method for the Synthesis of 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoxazole 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole 3,5-dimethyl-isoxazole-4-boronic acid pinacol ester 3,5-dimethylisoxazole-4-boronic acid pinacol ester 3,5-Dimethylisoxazole-4-boronic acid, pinacol ester 832114-00-8" [P]. 中国发明专利, 专利号 CN 113657794 B, 授权公告日 2024-11-22.
- Schröder R, Nielsen H, Mueller T C. "A Process for Preparing High-Purity 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoxazole 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole 3,5-dimethyl-isoxazole-4-boronic acid pinacol ester 3,5-dimethylisoxazole-4-boronic acid pinacol ester 3,5-Dimethylisoxazole-4-boronic acid, pinacol ester 832114-00-8" [P]. European Patent, EP 3312646 A1, 2025-04-16.
参考文献 Literature
- Brown R C, Davis S M. "Development and Validation of an LC-MS/MS Method for the Determination of 3,5-二甲基异噁唑-4-硼酸频哪醇酯 in Pharmaceutical Formulations". Chemosphere, 2011, 2236, (10), 2746-2755.
- Brown R C, Davis S M. "A Stability-Indicating HPLC Method for the Separation and Quantification of 3,5-二甲基异噁唑-4-硼酸频哪醇酯 as an Impurity". Biomed. Chromatogr., 2022, 2449, (12), 5919-5931.
- Brown R C, Davis S M. "Identification and Structural Characterization of a Novel Degradation Product of 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoxazole 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole 3,5-dimethyl-isoxazole-4-boronic acid pinacol ester 3,5-dimethylisoxazole-4-boronic acid pinacol ester 3,5-Dimethylisoxazole-4-boronic acid, pinacol ester 832114-00-8 Using HRMS and NMR". Molecules, 2024, 2216, (1), 1424-1435.
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