3-Methyl-3-penten-2-one (3M3P) is an essential intermediate for the production of synthetic ketone fragrances such as Iso E Super. The traditional batch production of 3M3P suffers from low selectivity and efficiency along with the drawbacks of using homogeneous catalysts; hence, major improvements are needed to upgrade the production in a sustainable way. This work is the first to provide an eco-efficient replacement of batch-stirred tank reactors (BSTRs) with continuous technologies based on a fixed bed reactor (FBR) and a reactive distillation column (RDC), combined with using heterogeneous catalysts in order to intensify the synthesis of 3M3P. The effect of reaction conditions on 3M3P synthesis was investigated experimentally, and rigorous simulations were used to scale up the processes. The 3M3P yields are similar in the BSTR and FBR, but the FBR-based alternative can reduce the energy use by 34.4% and the total annual cost (TAC) by 48.4%. The process combining an RDC and an FBR allows yields of up to 95.8% (about 13% higher than in the BSTR) because of the ability of reactive distillation (RD) to remove continuously the intermediate from the reactive section and avoid the side reactions. Compared to the traditional BSTR-based process, the energy usage for the RDC + FBR-based technology is reduced by 42%, the TAC is 53% lower, the CO₂ emissions are reduced by 11.7% and the waste by 87.3%, while the mass efficiency is improved by 11.5%. The results of this work provide a strong basis for development, design, and improvement of more sustainable 3M3P production technologies.

中文翻译：

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从分批到连续可持续生产3-甲基-3-戊烯-2-酮用于合成酮香精

3-甲基-3-戊烯-2-酮（3M3P）是生产合成酮香料（如Iso E Super）的重要中间体。传统的3M3P批量生产存在选择性低，效率低以及使用均相催化剂的缺点。因此，需要进行重大改进以可持续方式升级生产。这项工作是第一个以固定床反应器（FBR）和反应蒸馏塔（RDC）为基础的连续技术，结合使用非均相催化剂，以生态高效的方式替代间歇搅拌釜反应器（BSTR）的技术，加强3M3P的合成。实验研究了反应条件对3M3P合成的影响，并使用严格的模拟方法扩大了工艺。BSTR和FBR的3M3P产量相似，但是基于FBR的替代方案可以减少34.4％的能源使用量和48.4％的年度总成本（TAC）。结合RDC和FBR的工艺，由于反应精馏（RD）能够从反应区连续去除中间体并避免副反应，因此收率可高达95.8％（比BSTR高约13％）。与传统的基于BSTR的过程相比，基于RDC + FBR的技术的能耗降低了42％，TAC降低了53％，CO₂排放量减少了11.7％，废物减少了87.3％，同时质量效率提高了11.5％。这项工作的结果为更可持续的3M3P生产技术的开发，设计和改进提供了坚实的基础。