Bhattacharjee, Jayeeta published the artcileA highly efficient Ti-catalyst for the deoxygenative reduction of esters under ambient conditions: experimental and mechanistic insights from DFT studies, Product Details of C10H10O2, the publication is Dalton Transactions (2022), 51(15), 5859-5867, database is CAplus and MEDLINE.
Titanium(IV) phosphinous amide-borane chelate complexes I (1, 2; X = Cl, CH2SiMe3) were prepared as catalysts for deoxygenative reduction of carboxylic esters RCO2R1 with pinacolborane, affording benzyl borates RCH2OBpin. In this paper, we report the synthesis of amidophosphineborane-supported titanium chloride 1 and alkyl complex 2 were prepared using a salt metathesis reaction. TiIV complex 1 was obtained by the reaction of the bis-borane ligand [{Ph2P(BH3)NH}2C6H4] and TiCl4 in toluene followed by the addition of 2 equiv of [LiN(SiMe3)2] at ambient temperature TiIV bis-alkyl complex 2 was isolated from the reaction of complex 1 with 2.5 equiv of LiCH2SiMe3 in toluene. The solid-state structure of complex 1 is established by single-crystal X-ray diffraction anal. TiIV bis-alkyl complex 2 has proved to be a competent catalyst in the deoxygenative reduction of aliphatic and aromatic esters with pinacolborane (HBpin) to afford corresponding boryl ethers at room temperature under solvent-free conditions. Catalyst 2 exhibits chemoselectivity toward ester functionalities over halides, heteroatoms, olefins, and amino functional groups. DFT studies demonstrate that the active form of catalyst 2 is capable of easily transferring its hydrides to ester substrates at room temperature The studies further reveal that the rate-limiting step (RLS) in an ester-to-boryl ether conversion is the cleavage of the C-O bond of an ester. In brief, the titanium-catalyzed ester-to-boryl ether conversions are found to be downhill processes having small activation barriers along all mechanistic steps.
Dalton Transactions published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Product Details of C10H10O2.
Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics