BETA-OXO-4-(TRIFLUOROMETHYL)-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

Base Information

Chemical Name:BETA-OXO-4-(TRIFLUOROMETHYL)-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER
CAS No.:502424-53-5
Molecular Formula:C₁₄H₁₅F₃O₃
Molecular Weight:288.267
Hs Code.:
Mol file:502424-53-5.mol

Synonyms:

Suppliers and Price of BETA-OXO-4-(TRIFLUOROMETHYL)-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Acrotein
tert-Butyl4-trifluoromethylbenzoylacetate 97%
0.5g
$ 183.33

Total 2 raw suppliers

Chemical Property of BETA-OXO-4-(TRIFLUOROMETHYL)-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

Chemical Property:

Boiling Point:316.1±42.0 °C(Predicted)
PKA:9.10±0.25(Predicted)
Density:1.198±0.06 g/cm3(Predicted)

Purity/Quality:

95%-98% ^*data from raw suppliers

tert-Butyl4-trifluoromethylbenzoylacetate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Technology Process of BETA-OXO-4-(TRIFLUOROMETHYL)-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

There total 2 articles about BETA-OXO-4-(TRIFLUOROMETHYL)-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 540-88-5
acetic acid tert-butyl ester

: 116332-61-7
N-methoxy-N-methyl-4-trifluoromethylbenzamide

: 502424-53-5
tert-butyl (2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)carboxylate

Guidance literature:: acetic acid tert-butyl ester; With n-butyllithium; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

N-methoxy-N-methyl-4-trifluoromethylbenzamide; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;
DOI:10.1039/d1cc06207g

Reference yield:

: 329-15-7
4-trifluoromethyl-phenyl acetyl chloride

: 502424-53-5
tert-butyl (2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / 3 h / 0 - 20 °C

2.1: n-butyllithium; N-ethyl-N,N-diisopropylamine / hexane; tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere

2.2: 1 h / -78 °C / Inert atmosphere

With n-butyllithium; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1039/d1cc06207g

Reference yield:

: 502424-53-5
tert-butyl (2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)carboxylate

: tert-butyl 5-methyl-2-(4-(trifluoromethyl)phenyl)-5H-pyrazino-[2,3-b]indole-3-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1.1: hydroxylamine hydrochloride; sodium acetate / methanol; water / 4 h / 20 °C

2.1: triethylamine / dichloromethane / 2.5 h / Cooling with ice

3.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 1 h / Cooling with ice

4.1: dimethyl sulfoxide / 12 h / 50 °C / Schlenk technique

4.2: 2 h / 80 °C / Inert atmosphere

4.3: 2 h / 80 °C / Inert atmosphere

With hydroxylamine hydrochloride; sodium acetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; In methanol; dichloromethane; water; dimethyl sulfoxide;
DOI:10.1021/acs.joc.8b00115