Li, Yiming’s team published research in Chemical Communications (Cambridge, United Kingdom) in 2019 | CAS: 914943-91-2

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkynes, aryl Role: RCT (Reactant), RACT (Reactant or Reagent). 914943-91-2 belongs to class esters-buliding-blocks, name is tert-Butyl 3-ethynylbenzoate, and the molecular formula is C13H14O2, Synthetic Route of 914943-91-2.

Li, Yiming published the artcileVisible-light-promoted oxidative halogenation of alkynes, Synthetic Route of 914943-91-2, the main research area is alkyne oxidative halogenation visible light.

In nature, halogenation promotes the biol. activity of secondary metabolites, especially geminal dihalogenation. Related natural mols. were studied for decades. In recent years, their diversified vital activities were explored for treating various diseases, which call for efficient and divergent synthetic strategies to facilitate drug discovery. Here the authors report a catalyst-free oxidative halogenation achieved under ambient conditions (halide ion, air, water, visible light, room temperature, and normal pressure). Constitutionally, electron transfer between the oxygen and halide ion is shuttled via simple conjugated mols., in which phenylacetylene works as both reactant and catalyst. Synthetically, it provides a highly compatible late-stage transformation strategy to build up dihaloacetophenones (DHAPs).

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkynes, aryl Role: RCT (Reactant), RACT (Reactant or Reagent). 914943-91-2 belongs to class esters-buliding-blocks, name is tert-Butyl 3-ethynylbenzoate, and the molecular formula is C13H14O2, Synthetic Route of 914943-91-2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Simple exploration of tert-Butyl 3-ethynylbenzoate

In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 914943-91-2 as follows. SDS of cas: 914943-91-2

In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 914943-91-2 as follows. SDS of cas: 914943-91-2

-Butyl 3-ethynyibenzoate (117) (1.603 g, 7.93 mmol), 4-iodo-2-(methylthio)-5- (trifiuoromethyl)pyrimidine (114) (1.647 g, 5.15 mmol), PdCI2(PPh3)2 (0.316 g, 0.45 mmoi), PPh3 (0.355 g, 1.35 mmol), Cu(i)i (0.232 g, 1.22 mmol) and trethyiamine (4.00 mL, 28.7 mmoi) were combined in D F (20 mL) and the resulting mixture heated at 120 C under microwave irradiation for 25 minutes. The mixture was then concentrated under reduced pressure and purified twice using silica gel column chromatography (10-20% EtOAc/petroleum benzine 40-60 C then 50-100% DCM/petroleum benzine 40-60 C) to give the title compound (118) (0.624 g, 31 %) as a yellow solid; 1H NMR (400 MHz, CDCI3) delta 8.73 (d, J = 0,8 Hz, H), 8.25 (m, H), 8.08 (m, 1 H), 7.78 (m, 1 H), 7.48 (m, 1 H), 2.63 (s, 3H), 1.61 (s, 9H).

According to the analysis of related databases, 914943-91-2, the application of this compound in the production field has become more and more popular.

Reference:
Patent; CANCER THERAPEUTICS CRC PTY LTD; DEVLIN, Mark Graeme; STREET, Ian Philip; TONG, Warwick Bonner; WO2014/27199; (2014); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics