Moity, Laurianne published the artcileIn silico design of bio-based commodity chemicals: application to itaconic acid based solvents, COA of Formula: C4H6O3, the publication is Green Chemistry (2014), 16(1), 146-160, database is CAplus.
Global issues are deeply changing the face of the chem. industry. Both the feedstock – biomass vs. oil – and the chem. transformations used are now chosen to comply with a sustainable development. In this work, a computer-assisted organic synthesis program, named GRASS (GeneratoR of Agro-based Sustainable Solvents), is proposed to help in the design of sustainable solvents from biomass feedstock. A careful selection of industrially relevant chem. transformations was performed to propose a set that allows obtaining in a few steps (1 to 3) a large number of commodity chems. from a chosen set of bio-based building-blocks. Emphasis was put on solvents since this type of compound is undergoing a deep renewal due to more stringent regulatory constraints, but the same approach may be extended to other commodity chems. This methodol. was exemplified starting from itaconic acid, a multifunctional bio-based building block. We checked a posteriori that all itaconic acid based-solvents reported in the literature do indeed belong to the set of virtual solvents generated by GRASS, along with an extended list of new derivatives that could be of potential interest.
Green Chemistry published new progress about 19444-84-9. 19444-84-9 belongs to tetrahydrofurans, auxiliary class Tetrahydrofuran,Ester,Alcohol, name is 3-Hydroxydihydrofuran-2(3H)-one, and the molecular formula is C4H6O3, COA of Formula: C4H6O3.
Referemce:
https://en.wikipedia.org/wiki/Tetrahydrofuran,
Tetrahydrofuran | (CH2)3CH2O – PubChem