The development of new technologies for electrochemical energy storage is one of the main challenge of the next decades. Many hopes now rely on lithium-ion batteries (LiBs) that have invaded the market of laptops and which appear to be the best choice with the short time for electric vehicles, and perhaps for network applications (electricity storage from wind turbines or solar cells for example). Many works concern the search for cathodes with high-energy density but only few studies focus their research on the synthesis of new dipolar aprotic organic solvents for LiBs electrolytes. Thus, there is a need to deviate from traditional approaches for identifying new electrolytes stable to high voltage that are based on "Trial and Errors" approaches. To alleviate this issue, a collaborative project funded by the French Research Agency (ANR) and reuniting multidisciplinary research groups that combines highly and specific complementary skills in organic chemistry, electrochemistry, solution chemistry, thermodynamics and theoretical chemistry was launched in October 2014. The present paper aims at presenting recent advances from this group on the design of new electrolytes for high-voltage batteries.

After a brief critical review of literature data about physicochemical and electrochemical properties of electrolytes for lithium-ion batteries in order to highlight the lack of homogeneity, new data will present data in order to get a homogenized database for performing QSPR calculations. In particular, this database will include a set of 20 new dipolar aprotic organic solvents synthesized and characterized in the present work. Based on the trend between the chemical structure of solvents and their physicochemical and electrochemical properties deduces from the above-mentioned database, the formulation of new electrolytes for 5V lithium-ion batteries will be presented. A particular attention will be paid on the anodic stability of these electrolytes at a NMC electrode and their behavior at a graphite electrode.