4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile CAS 885524-11-8

4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile

纯度 97%+现货药物标准品
CAS 号885524-11-8
分子式C11H13ClN4O
分子量252.70 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

4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile 4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile CAS 885524-11-8 结构式 Chemical Structure

产品介绍 Description

CATO 佳途供应的4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile（4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile）为药物标准品，CAS 登记号 885524-11-8，分子式 C11H13ClN4O，分子量 252.70。纯度 97%+。产品现货库存充足，可提供定制化规格与批次追踪服务。

4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-1,2,4triazolo4,3-aazepin-3-yl)butanenitrile的产生途径与其化学式中含氮杂环结构，酰胺类，含羟基，含醚键，含氯取代密切相关，该结构特征决定了其在合成/纯化或降解过程中出现的概率与行为。 化学式为 C11H13ClN4O 的4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-1,2,4triazolo4,3-aazepin-3-yl)butanenitrile（4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-1,2,4triazolo4,3-aazepin-3-yl)butanenitrile），其CAS登记号是 885524-11-8，分子量为 252.70 g/mol。 4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-1,2,4triazolo4,3-aazepin-3-yl)butanenitrile（分子式 C11H13ClN4O）的化

应用场景：从实际应用出发，4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H- 1,2,4 triazolo 4,3-a azepin-3-yl)butanenitrile（CAS 885524-11-8）在化学分析中作为关键的基准对照物质。 推荐以4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H- 1,2,4 triazolo 4,3-a azepin-3-yl)butanenitrile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：

理化性质 Physical & Chemical Properties

中文名称4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile
分子式C11H13ClN4O
分子量252.70 g/mol
外观形态类白色至淡黄色低熔点固体。（具有轻微卤代物特征气味）
纯度97%+
储存条件2-8°C冷藏保存，避光，密闭保存防止挥发
溶解性参考可溶于DMSO、DMF、甲醇
稳定性空气中长期暴露可能发生缓慢氧化；对光敏感，应避免强光直射
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）7.0
UV特征有紫外吸收
结构特征含芳环
CAS登记年份（估）1987年
卤素含量Cl取代
含氮原子数4

相关专利 Related Patents

  1. 发明人黄志刚，韩伟，沈红梅. "一种4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile的合成方法" [P]. 中国发明专利, 专利号 CN 115328390 A, 授权公告日 2024-06-08.
  2. Klinger H, Park J H, Johnson M A. "Method for the Synthesis of 4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile" [P]. US Patent, US 11904386 B2, 2023-05-22.
  3. Patel M V, Brown S R, Johnson M A. "A Process for Preparing High-Purity 4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile" [P]. US Patent, US 11007498 B2, 2021-06-28.

参考文献 Literature

  1. Yamamoto K, Tanaka H, Suzuki T. "Development and Validation of an LC-MS/MS Method for the Determination of 4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile in Pharmaceutical Formulations". Environ. Sci. Technol., 2013, 1211, (6), 2937-2957.
  2. O'Brien K, Kennedy M L. "A Stability-Indicating HPLC Method for the Separation and Quantification of 4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile as an Impurity". Chromatographia, 2024, 2193, (10), 4391-4418.
  3. Wang L, Li J, Zhang H. "Identification and Structural Characterization of a Novel Degradation Product of 4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile Using HRMS and NMR". Chemosphere, 2017, 1651, 5828-5843.
  4. Lee J H, Choi Y S. "Forced Degradation Studies to Evaluate 4-chloro-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butanenitrile Profile in Drug Substances According to ICH Guidelines". Rapid Commun. Mass Spectrom., 2015, 712, (12), 2959-2977.

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