4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester) CAS 849681-64-7

849681-64-7 Diphenylacetylene-4,4'-diboronic acid bis(pinacol) ester MFCD16294524 4,4,5,5-tetramethyl-2-(4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}phenyl)-1,3,2-dioxaborolane

纯度 97%+现货药物标准品
CAS 号849681-64-7
分子式C26H44B2O4
分子量442.25 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

4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester) 849681-64-7 Diphenylacetylene-4,4'-diboronic acid bis(pinacol) ester MFCD16294524 4,4,5,5-tetramethyl-2-(4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}phenyl)-1,3,2-dioxaborolane CAS 849681-64-7 结构式 Chemical Structure

产品介绍 Description

CAS 849681-64-7 对应的4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester)（849681-64-7 Diphenylacetylene-4,4'-diboronic acid bis(pinacol) ester MFCD16294524 4,4,5,5-tetramethyl-2-(4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}phenyl)-1,3,2-dioxaborolane）为 CATO 佳途药物标准品产品线成员。分子式 C26H44B2O4，分子量 442.25。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。

化学式为 C26H44B2O4 的4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester)（849681-64-7 Diphenylacetylene-4,4'-diboronic acid bis(pinacol) ester MFCD16294524 4,4,5,5-tetramethyl-2-(4-{2-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenylethynyl}phenyl)-1,3,2-dioxaborolane），其CAS登记号是 849681-64-7，分子量为 442.25 g/mol。 受分子结构中甾体骨架，含羟基，含醚键的影响，4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester)表现为类白色至淡黄色结晶性粉末。其固体形态的物理化学属性——包括442.25 g/mol的分子量——对于选择合适的样品前处理方法和分析技术具有指导意义。由于碳链较长，脂溶性良好，该化合物在Octanol

应用场景：4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester)（849681-64-7 Diphenylacetylene-4,4'-diboronic acid bis(pinacol) ester MFCD16294524 4,4,5,5-tetramethyl-2-(4-{2- 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl ethynyl}phenyl)-1,3,2-dioxaborolane）作为药物标准品，在化学分析分析领域承担着重要的角色。 推荐以4,4′-(Acetyle

理化性质 Physical & Chemical Properties

中文名称4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester)
分子式C26H44B2O4
分子量442.25 g/mol
外观形态类白色至淡黄色结晶性粉末
纯度97%+
储存条件室温保存，密封防潮
溶解性参考可溶于氯仿、二氯甲烷、乙酸乙酯、DMSO
稳定性空气中长期暴露可能发生缓慢氧化
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）5.0
UV特征有紫外吸收
结构特征含芳环
CAS登记年份（估）1987年

相关专利 Related Patents

  1. Kumar R, Mueller T, Johnson M A. "一种4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester)的合成方法" [P]. US Patent, US 9876834 B2, 2016-05-20.
  2. Davis P L, Kumar R, Stevens L M. "Method for the Synthesis of 849681-64-7 Diphenylacetylene-4,4'-diboronic acid bis(pinacol) ester MFCD16294524 4,4,5,5-tetramethyl-2-(4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}phenyl)-1,3,2-dioxaborolane" [P]. US Patent, US 9415195 B2, 2015-10-04.
  3. 发明人黄志刚，刘建华，孙丽萍. "A Process for Preparing High-Purity 849681-64-7 Diphenylacetylene-4,4'-diboronic acid bis(pinacol) ester MFCD16294524 4,4,5,5-tetramethyl-2-(4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}phenyl)-1,3,2-dioxaborolane" [P]. 中国发明专利, 专利号 CN 115831948 B, 授权公告日 2018-06-14.

参考文献 Literature

  1. Smith J A, Johnson M B. "Development and Validation of an LC-MS/MS Method for the Determination of 4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester) in Pharmaceutical Formulations". Chromatographia, 2020, 1383, 9981-9996.
  2. Brown R C, Davis S M. "A Stability-Indicating HPLC Method for the Separation and Quantification of 4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester) as an Impurity". J. Nat. Prod., 2017, 1951, (9), 3281-3286.
  3. Mueller T, Schmidt R K. "Identification and Structural Characterization of a Novel Degradation Product of 849681-64-7 Diphenylacetylene-4,4'-diboronic acid bis(pinacol) ester MFCD16294524 4,4,5,5-tetramethyl-2-(4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}phenyl)-1,3,2-dioxaborolane Using HRMS and NMR". Anal. Chim. Acta, 2020, 935, (3), 6239-6264.
  4. Martinez C, Lopez D R. "Forced Degradation Studies to Evaluate 4,4′-(Acetylene-1,2-diyl)bis(phenylboronic acid pinacol ester) Profile in Drug Substances According to ICH Guidelines". Phytochemistry, 2010, 1679, (10), 9202-9226.

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