Methyl 3-benzoylpropionate

Base Information

• Chemical Name: Methyl 3-benzoylpropionate
• CAS No.: 25333-24-8
• Molecular Formula: C11H12 O3
• Molecular Weight: 192.214
• Hs Code.: 2918300090
• NSC Number: 27900
• DSSTox Substance ID: DTXSID90179976
• Nikkaji Number: J127.901G
• Mol file: 25333-24-8.mol

Synonyms:Methyl 3-benzoylpropionate;25333-24-8;Methyl 4-oxo-4-phenylbutanoate;3-Benzoylpropionic Acid Methyl Ester;Methyl 4-Oxo-4-phenylbutyrate;MFCD00014906;Methyl 3-benzoylpropanoate;Propionic acid, 3-benzoyl-, methyl ester;Benzenebutanoic acid, gamma-oxo-, methyl ester;Benzenebutanoic acid, .gamma.-oxo-, methyl ester;4-Oxo-4-phenylbutyric Acid Methyl Ester;methyl-3-benzoylpropionate;SCHEMBL135356;XVRCVKWYKYJEIG-UHFFFAOYSA-;DTXSID90179976;Methyl 4-oxo-4-phenylbutanoate #;NSC27900;NSC 27900;NSC-27900;AKOS008909633;AM10004;Methyl 3-benzoylpropionate, AldrichCPR;4-oxo-4-phenylbutanoic acid methyl ester;AC-26562;AS-60217;SY009084;B1546;CS-0067775;FT-0628323;FT-0628542;Propionic acid, beta-benzoyl-, methyl ester;(2-OXOQUINOXALIN-1(2H)-YL)ACETICACID;EN300-124297;A817790;InChI=1/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

Chemical Property of Methyl 3-benzoylpropionate

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.000707mmHg at 25°C
• Refractive Index: 1.523-1.525
• Boiling Point: 307.8°Cat760mmHg
• Flash Point: 134.6°C
• PSA: 43.37000
• Density: 1.104g/cm³
• LogP: 1.82250
• Solubility.: Soluble in Chloroform.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 3-Benzoylpropionate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC(=O)C1=CC=CC=C1
• Uses: Methyl 3-benzoylpropionate is used as a chemical and organic intermediate.

Technology Process of Methyl 3-benzoylpropionate

There total 108 articles about Methyl 3-benzoylpropionate 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: 100.0%

succinylbenzene (2051-95-8) → 3-benzoylpropionic acid methyl ester (25333-24-8)

Guidance literature:

With sulfuric acid; sodium carbonate; In methanol; ethyl acetate;

Reference yield: 99.0%

succinylbenzene (2051-95-8) + methyl iodide (74-88-4) → 3-benzoylpropionic acid methyl ester (25333-24-8)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 60 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c7cc01514c

Reference yield: 98.0%

methanol (67-56-1) + succinylbenzene (2051-95-8) → 3-benzoylpropionic acid methyl ester (25333-24-8)

Guidance literature:

With sulfuric acid; at 50 ℃; for 5h;

DOI:10.1016/j.tet.2019.130760

upstream raw materials:

methyl 4-oxo-4-phenylbut-2-ynoate

methanol

succinylbenzene

diphenyl cadmium

Downstream raw materials:

2-methyl-5-phenylhexane-2,5-diol

4-phenyl-3-pentenoic acid

6-phenyl-2,3,4,5-tetrahydropyridazin-3-one

4-{(E)-4-[2-(Methyl-pyridin-2-yl-amino)-ethoxy]-benzyloxyimino}-4-phenyl-butyric acid methyl ester

Refernces

• 1、 Rotrekl, Ivan,Vyklicky, Libor,Dvorák, Dalimil. "Reaction of iron aminocarbene complexes with electronically deficient alkenes". . p. 329 - 333. Retrieved 2001.
• 2、 Santra, Sourav K.,Szpilman, Alex M.. "Visible-Spectrum Solar-Light-Mediated Benzylic C-H Oxygenation Using 9,10-Dibromoanthracene As an Initiator". . p. 1164 - 1171. Retrieved 2020/12/23.
• 3、 Wang, Jia-Xin,Ge, Wei,Xing, Wei-Long,Fu, Ming-Chen. "Photoinduced Deaminative Alkylation for the Synthesis of γ-Ketoesters via Electron Donor–Acceptor Complex Formation". supporting information. p. 18224 - 18231. Retrieved 2021/12/13.