Benzenepropanoic acid, b-oxo-, 1-methylethyl ester

Base Information

• Chemical Name: Benzenepropanoic acid, b-oxo-, 1-methylethyl ester
• CAS No.: 54441-65-5
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• Mol file: 54441-65-5.mol

Synonyms:

Chemical Property of Benzenepropanoic acid, b-oxo-, 1-methylethyl ester

Chemical Property:

• Boiling Point: 158-158.5 °C(Press: 15 Torr)
• PSA: 37.30000
• Density: 1.080±0.06 g/cm3(Predicted)
• LogP: 2.39050

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenepropanoic acid, b-oxo-, 1-methylethyl ester

There total 17 articles about Benzenepropanoic acid, b-oxo-, 1-methylethyl 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: 90.0%

4-(benzoyloxy)morpholine (5765-65-1) + Isopropyl acetate (108-21-4) → isopropyl 3-oxo-3-(phenyl)propanoate (54441-65-5)

Guidance literature:

Isopropyl acetate; With bis(2,2,6,6-tetramethyl-1-piperidyl)zinc; In toluene; at 20 ℃; for 1h; Microwave irradiation;

4-(benzoyloxy)morpholine; In tetrahydrofuran; toluene; at 60 ℃; Microwave irradiation;

DOI:10.1039/c3cc49296f

Reference yield: 90.0%

Isopropyl acetate (108-21-4) + N,N-phenyl-p-toluenesulfonylbenzamide (74542-54-4) → isopropyl 3-oxo-3-(phenyl)propanoate (54441-65-5)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at 25 ℃; for 2h; chemoselective reaction; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.joc.0c02868

Reference yield: 63.0%

iodobenzene (591-50-4) + carbon monoxide (201230-82-2) + C9H15BrMgO4 (109572-63-6) → isopropyl 3-oxo-3-(phenyl)propanoate (54441-65-5)

Guidance literature:

With iodophenylbis(triphenylphosphine)palladium; In diethyl ether; benzene; at 120 ℃; for 5h; under 15200 Torr;

DOI:10.1016/S0040-4039(00)85054-6

upstream raw materials:

benzoic acid phenyl ester

diethyl ether

Isopropyl acetate

iodobenzene

Downstream raw materials:

(Z)-isopropyl 3-oxo-2-(3-oxoindolin-2-ylidene)-3-phenylpropanoate

iso-propyl 3-oxo-2-(3-oxocyclohexyl)-3-phenylpropanoate

C₁₈H₁₉NO₂

Refernces

• 1、 Chen, Jiajia,Joseph, Devaneyan,Xia, Yuanzhi,Lee, Sunwoo. "Amide/Ester Cross-Coupling via C-N/C-H Bond Cleavage: Synthesis of β-Ketoesters". . p. 5943 - 5953. Retrieved 2021/04/02.
• 2、 Zhang, Yong,Zhao, Xiaoyuan,Zhuang, Chen,Wang, Senlin,Zhang-Negrerie, Daisy,Du, Yunfei. "PhIO/Et3N ? 3HF-Mediated Formation of Fluorinated 2H-Azirines via Domino Fluorination/Azirination Reaction of Enamines". supporting information. p. 2107 - 2112. Retrieved 2018/04/19.