methyl 4-butyrylbenzoate

Base Information

• Chemical Name: methyl 4-butyrylbenzoate
• CAS No.: 71616-83-6
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• Mol file: 71616-83-6.mol

Synonyms:4-carbomethoxybutyrophenone;methyl 4-butyrylbenzoate;4-butyryl-benzoic acid methyl ester;

Chemical Property of methyl 4-butyrylbenzoate

Chemical Property:

• Melting Point: 84 °C
• Boiling Point: 324.6±25.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.074±0.06 g/cm3(Predicted)
• LogP: 2.45600
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-butyrylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of methyl 4-butyrylbenzoate

There total 11 articles about methyl 4-butyrylbenzoate 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: 99.0%

2-bromoprop-1-ene (557-93-7) + methyl 4-formylbenzoate (1571-08-0) → 4-butyrylbenzoic acid methyl ester (71616-83-6)

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); potassium formate; potassium carbonate; triphenylphosphine; In 1,2-dimethoxyethane; at 130 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.9b03113

Reference yield: 95.2%

4-(1-hydroxybutyl)benzoic acid methyl ester (872254-79-0) → 4-butyrylbenzoic acid methyl ester (71616-83-6)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 0 - 20 ℃; for 18h;

Reference yield: 85.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 1-(4-bromophenyl)-1-butanone (4981-64-0) → 4-butyrylbenzoic acid methyl ester (71616-83-6)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; triethylamine; at 90 ℃; for 12h; under 11400.8 Torr;

upstream raw materials:

1-propylmagnesium chloride

methyl 4-(N-methoxy-N-methylcarbamoyl)benzoate

methanol

trifluoromethanesulfonic acid 4-butanoyl-phenyl ester

Downstream raw materials:

4-butyrylbenzoic acid

methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Refernces

• 1、 -. "Amide derivatives, and preparation method and application thereof to medicines". . . Retrieved 2017/10/22.
• 2、 -. "COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES". . . Retrieved 2013/05/21.