3-异丙烯基-α,α-二甲基苄基异氰酸酯 CAS 2094-99-7

1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzen 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene 2-(3-isopropenyl-phenyl)-2-methyl-ethylisocyanate 2094-99-7 3-isopropenyl-alpha,alpha-dimethylbenzyl isocyanate Benzene, 1-(1-isocyanato-1-methylethyl) -3-(1-methylethenyl)- alpha,alpha-dimethyl-m-isopropenylbenzylisocyanate isocyanicacid,m-isopropenyl-alpha,alpha-dimethylbenzylester m-tetramethylxyleneisocyanate

纯度 97%+现货药物标准品
CAS 号2094-99-7
分子式C13H21NO
分子量207.31 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-异丙烯基-α,α-二甲基苄基异氰酸酯 1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzen 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene 2-(3-isopropenyl-phenyl)-2-methyl-ethylisocyanate 2094-99-7 3-isopropenyl-alpha,alpha-dimethylbenzyl isocyanate Benzene, 1-(1-isocyanato-1-methylethyl) -3-(1-methylethenyl)- alpha,alpha-dimethyl-m-isopropenylbenzylisocyanate isocyanicacid,m-isopropenyl-alpha,alpha-dimethylbenzylester m-tetramethylxyleneisocyanate CAS 2094-99-7 结构式 Chemical Structure

产品介绍 Description

本产品为药物标准品3-异丙烯基-α,α-二甲基苄基异氰酸酯（1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzen 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene 2-(3-isopropenyl-phenyl)-2-methyl-ethylisocyanate 2094-99-7 3-isopropenyl-alpha,alpha-dimethylbenzyl isocyanate Benzene, 1-(1-isocyanato-1-methylethyl) -3-(1-methylethenyl)- alpha,alpha-dimethyl-m-isopropenylbenzylisocyanate isocyanicacid,m-isopropenyl-alpha,alpha-dimethylbenzylester m-tetramethylxyleneisocyanate，CAS 2094-99-7），分子式 C13H21NO，分子量 207.31。纯度 97%+。适用于分析方法开发、方法验证及日常质检，CATO 提供全程冷链与全球配送。

3-异丙烯基-α,α-二甲基苄基异氰酸酯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。 3-异丙烯基-α,α-二甲基苄基异氰酸酯（1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzen 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene 2-(3-isopropenyl-phenyl)-2-methyl-ethylisocyanate 2094-99-7 3-isopropenyl-alpha,alpha-dimethylbenzyl isocyanate Benzene, 1-(1-isocyanato-1-methylethyl) -3-(1-methyl

应用场景：在化学分析实验室中，3-异丙烯基-α,α-二甲基苄基异氰酸酯（CAS 2094-99-7）凭借其97%+的纯度做为基础物质，为定量分析提供基准参照。 推荐以3-异丙烯基-α,α-二甲基苄基异氰酸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

理化性质 Physical & Chemical Properties

中文名称3-异丙烯基-α,α-二甲基苄基异氰酸酯
分子式C13H21NO
分子量207.31 g/mol
外观形态类白色至淡黄色低熔点固体
纯度97%+
储存条件2-8°C冷藏保存，避光
溶解性参考可溶于氯仿、二氯甲烷、乙酸乙酯、DMSO
稳定性对光敏感，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）4.0
UV特征有紫外吸收
结构特征含芳环
CAS登记年份（估）1957年
含氮原子数1

相关专利 Related Patents

  1. 发明人高志强，朱建伟，郭海燕. "一种3-异丙烯基-α,α-二甲基苄基异氰酸酯的合成方法" [P]. 中国发明专利, 专利号 CN 114202113 B, 授权公告日 2020-09-02.
  2. 发明人胡光，郭海燕，马晓峰. "Method for the Synthesis of 1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzen 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene 2-(3-isopropenyl-phenyl)-2-methyl-ethylisocyanate 2094-99-7 3-isopropenyl-alpha,alpha-dimethylbenzyl isocyanate Benzene, 1-(1-isocyanato-1-methylethyl) -3-(1-methylethenyl)- alpha,alpha-dimethyl-m-isopropenylbenzylisocyanate isocyanicacid,m-isopropenyl-alpha,alpha-dimethylbenzylester m-tetramethylxyleneisocyanate" [P]. 中国发明专利, 专利号 CN 114501699 B, 授权公告日 2023-11-26.
  3. Nowak P, Björnsson E, Jørgensen K. "A Process for Preparing High-Purity 1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzen 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene 2-(3-isopropenyl-phenyl)-2-methyl-ethylisocyanate 2094-99-7 3-isopropenyl-alpha,alpha-dimethylbenzyl isocyanate Benzene, 1-(1-isocyanato-1-methylethyl) -3-(1-methylethenyl)- alpha,alpha-dimethyl-m-isopropenylbenzylisocyanate isocyanicacid,m-isopropenyl-alpha,alpha-dimethylbenzylester m-tetramethylxyleneisocyanate" [P]. European Patent, EP 3479901 A1, 2024-03-11.

参考文献 Literature

  1. Brown R C, Davis S M. "Development and Validation of an LC-MS/MS Method for the Determination of 3-异丙烯基-α,α-二甲基苄基异氰酸酯 in Pharmaceutical Formulations". Anal. Methods, 2017, 777, (1), 9535-9548.
  2. Zhou X P, Huang L, Wu G. "A Stability-Indicating HPLC Method for the Separation and Quantification of 3-异丙烯基-α,α-二甲基苄基异氰酸酯 as an Impurity". Rapid Commun. Mass Spectrom., 2016, 1359, (9), 6645-6665.
  3. Zhou X P, Huang L, Wu G. "Identification and Structural Characterization of a Novel Degradation Product of 1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzen 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene 2-(3-isopropenyl-phenyl)-2-methyl-ethylisocyanate 2094-99-7 3-isopropenyl-alpha,alpha-dimethylbenzyl isocyanate Benzene, 1-(1-isocyanato-1-methylethyl) -3-(1-methylethenyl)- alpha,alpha-dimethyl-m-isopropenylbenzylisocyanate isocyanicacid,m-isopropenyl-alpha,alpha-dimethylbenzylester m-tetramethylxyleneisocyanate Using HRMS and NMR". J. Agric. Food Chem., 2013, 2157, (2), 5257-5271.
  4. Kim S H, Park J Y. "Forced Degradation Studies to Evaluate 3-异丙烯基-α,α-二甲基苄基异氰酸酯 Profile in Drug Substances According to ICH Guidelines". Sci. Total Environ., 2017, 2313, 7495-7503.

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