Direct C − H functionalization of inactive alkanes is an important strategy to streamline the preparation of functional molecules. Herein, we describe an operationally simple and effective alkane C − H nitration reaction to access versatile nitroalkanes without cleavage of the C − C skeleton. Nontoxic and inexpensive metal nitrate (Fe(NO₃)₃·9H₂O) plays a dual role as catalyst precursors as well as nitro sources for the transformation. Experimental evidence and theoretical modeling have shown the formation of iron oxide as a key catalytic species for the alkane C − H and NO₂ activation, which favors a stepwise radical mechanism with initial alkyl radical formation.

惰性烷烃的直接C H功能化是简化功能分子制备的重要策略。本文中，我们描述了一种操作简单有效的烷烃CH硝化反应，可在不裂解CC骨架的情况下获得通用的硝基烷。无毒且廉价的金属硝酸盐（Fe（NO ₃）₃ ·9H ₂ O）既充当催化剂前体又充当转化的硝基源，起着双重作用。实验证据和理论模型表明，氧化铁的形成是烷烃CH和NO ₂活化的关键催化物种，这有利于逐步形成初始烷基自由基的自由基机理。