METHYL 4-BENZOYLBUTYRATE

Base Information

• Chemical Name: METHYL 4-BENZOYLBUTYRATE
• CAS No.: 1501-04-8
• Molecular Formula: C12H14 O3
• Molecular Weight: 206.241
• Hs Code.: 2918300090
• Mol file: 1501-04-8.mol

Synonyms:Butyricacid, 4-benzoyl-, methyl ester (6CI,7CI,8CI); 4-Carbomethoxybutyrophenone;Methyl 4-benzoylbutyrate; Methyl 5-oxo-5-phenylpentanoate; g-Carbomethoxybutyrophenone; d-Oxobenzenepentanoic acid methylester

Chemical Property of METHYL 4-BENZOYLBUTYRATE

Chemical Property:

• Vapor Pressure: 0.000281mmHg at 25°C
• Melting Point: -2℃
• Refractive Index: 1.5162 (589.3 nm 20℃)
• Boiling Point: 322.4°C at 760 mmHg
• Flash Point: 141°C
• PSA: 43.37000
• Density: 1.082g/cm³
• LogP: 2.21260
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

98% ^*data from raw suppliers

Methyl5-Oxo-5-phenylpentanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 4-BENZOYLBUTYRATE

There total 44 articles about METHYL 4-BENZOYLBUTYRATE 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%

methanol (67-56-1) + 5-oxo-5-phenylvaleric acid (1501-05-9) → Methyl 4-benzoylbutanoate (1501-04-8)

Guidance literature:

With acetyl chloride; at 0 - 20 ℃; for 15h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b01205

Reference yield: 99.0%

1-phenyl-1-(tributylstannyloxy)ethene (17851-98-8) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → Methyl 4-benzoylbutanoate (1501-04-8)

Guidance literature:

With tetrabutylammomium bromide; In tetrahydrofuran; for 12h; Heating;

DOI:10.1021/jo990062b

Reference yield: 97.0%

methyl 4-(chlorocarbonyl)butyrate (1501-26-4) + phenylmagnesium bromide (100-58-3) → Methyl 4-benzoylbutanoate (1501-04-8)

Guidance literature:

With copper(I) bromide; lithium bromide; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1016/0040-4020(96)00805-8

upstream raw materials:

diazomethane

5-oxo-5-phenylvaleric acid

acrylic acid methyl ester

acetophenone

Downstream raw materials:

6-phenylpiperidin-2-one

(5R) methyl 5-hydroxy-5-phenylpentanoate

(+)-(R)-δ-(phenyl)-δ-valerolactone

(6S) 6-phenyltetrahydro-2H-pyran-2-one

Refernces

• 1、 Shu, Chunying,Xu, Wei,Slebodnick, Carla,Champion, Hunter,Fu, Wujun,Reid, Jonathan E.,Azurmendi, Hugo,Wang, Chunru,Harich, L Kim,Dorn, Harry C.,Gibson, Harry W.. "Syntheses and structures of phenyl-C81butyric acid methyl esters/ (PCBMs) from M3N@C80". . p. 1753 - 1756. Retrieved 2009.
• 2、 Pasto,D.J.,Serve,M.P.. "-". . p. 1515 - 1521. Retrieved 1965.
• 3、 -. "Preparation method of carboxylic ester compound". Paragraph 0057-0058. . Retrieved 2021/03/30.
• 4、 Moriyama, Katsuhiko,Kuramochi, Masako,Tsuzuki, Seiji,Fujii, Kozo,Morita, Takeshi. "Nitroxyl Catalysts for Six-Membered Ring Bromolactonization and Intermolecular Bromoesterification of Alkenes with Carboxylic Acids". supporting information. p. 268 - 273. Retrieved 2021/01/09.