Gruhin Jonathan N, Kim Richard, Vasilopoulos Aristidis, Voight Eric A, Alexanian Erik J
Department of Chemistry, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
AbbVie, Inc., North Chicago, Illinois 60064, United States.
J Am Chem Soc. 2024 Dec 4;146(48):32919-32924. doi: 10.1021/jacs.4c13687. Epub 2024 Nov 20.
Homologations of organic molecules that add a carbon atom to the substrate are useful in drug discovery to access compounds with improved properties that otherwise present a synthetic challenge. Carboxylic acids are present in many bioactive molecules and are widely available building blocks for chemical synthesis, yet their direct homologation is unknown. This valuable transformation currently necessitates implementation of multistep processes that require the use of carboxylic acid derivatives rather than the native substrates, and commonly involves highly reactive and toxic reagents. Herein, we report the first one-step homologation directly from native carboxylic acids using a novel, bench-stable (1-phosphoryl)vinyl sulfonate reagent under mild conditions. This strategy was applied to a wide range of aliphatic carboxylic acid building blocks and biologically relevant complex molecules to access an array of ester, amide, and carboxylic acid homologues in a single step. The (1-phosphoryl)vinyl sulfonate reagent participates in complementary homologation protocols featuring either radical-chain transfer or organic photoredox catalysis and introduces a new synthon, the distonic acylium radical, for molecular diversification. We anticipate this strategy, which addresses a long-standing challenge in organic synthesis, will expedite drug discovery by enabling the rapid synthesis of diversified homologues.
在药物研发中,能向底物添加一个碳原子的有机分子同系化反应有助于获得具有更优性质但合成具有挑战性的化合物。羧酸存在于许多生物活性分子中,是化学合成中广泛可用的构建单元,但其直接同系化反应尚属未知。目前,这种有价值的转化需要实施多步反应,这些反应需要使用羧酸衍生物而非天然底物,并且通常涉及高活性和有毒的试剂。在此,我们报道了首例在温和条件下,使用一种新型的、易于保存的(1-磷酰基)乙烯基磺酸盐试剂直接从天然羧酸进行一步同系化反应。该策略适用于多种脂肪族羧酸构建单元和具有生物学意义的复杂分子,能够一步合成一系列酯、酰胺和羧酸同系物。(1-磷酰基)乙烯基磺酸盐试剂参与了以自由基链转移或有机光氧化还原催化为特征的互补同系化反应,并引入了一种新的合成子——离域酰鎓自由基,用于分子多样化。我们预计,这一解决了有机合成中长期存在挑战的策略,将通过实现多样化同系物的快速合成来加速药物研发。