alpha-Methyl-gamma-oxobenzenebutanoic acid ethyl ester

Base Information

• Chemical Name: alpha-Methyl-gamma-oxobenzenebutanoic acid ethyl ester
• CAS No.: 6938-44-9
• Molecular Formula: C13H16 O3
• Molecular Weight: 220.268
• Hs Code.: 2918300090
• NSC Number: 53963
• Nikkaji Number: J1.669.042B
• Mol file: 6938-44-9.mol

Synonyms:NSC53963;NSC-53963

Chemical Property of alpha-Methyl-gamma-oxobenzenebutanoic acid ethyl ester

Chemical Property:

• Vapor Pressure: 1.89E-12mmHg at 25°C
• Boiling Point: 557.2°C at 760 mmHg
• Flash Point: 290.8°C
• PSA: 43.37000
• Density: 1.62g/cm³
• LogP: 2.45860
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)CC(=O)C1=CC=CC=C1

Technology Process of alpha-Methyl-gamma-oxobenzenebutanoic acid ethyl ester

There total 33 articles about alpha-Methyl-gamma-oxobenzenebutanoic acid ethyl 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: 95.0%

1-phenyl-1-(tributylstannyloxy)ethene (17851-98-8) + Ethyl 2-bromopropionate (535-11-5,41978-69-2) → ethyl 2-methyl-4-oxo-4-phenyl-butanoate (6938-44-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In benzene; at 80 ℃; for 4h;

DOI:10.1021/ol016268s

Reference yield: 94.0%

1-(1-phenylvinyl)piperidine (14990-66-0) + Ethyl 2-bromopropionate (535-11-5,41978-69-2) → ethyl 2-methyl-4-oxo-4-phenyl-butanoate (6938-44-9)

Guidance literature:

With 4-methoxypyridine; tris(2,2'-bipyridyl)ruthenium dichloride; potassium carbonate; triethylamine; In N,N-dimethyl-formamide; at 35 ℃; for 24h; Temperature; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1039/c4cc05590j

Reference yield: 89.0%

methyl methacrylate (97-63-2,9003-42-3) + Benzoylformic acid (611-73-4) → ethyl 2-methyl-4-oxo-4-phenyl-butanoate (6938-44-9)

Guidance literature:

With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; potassium tert-butylate; In acetonitrile; at 20 ℃; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1039/d0cc05580h

upstream raw materials:

2,2-diethoxy-3-methyl-5-phenyl-2,3-dihydro-furan

1-Ethoxy-2-methyl-1-(trimethylsilyloxy)cyclopropan

benzoyl chloride

ethyl 2-benzoyl-2-iodomethylpropionate

Downstream raw materials:

(Z)-4-Chloro-3-formyl-2-methyl-4-phenyl-but-3-enoic acid ethyl ester

(S)-2-Methyl-4-oxo-4-phenylbutanoic acid

(3S,5S)-3-methyl-5-phenyl-4,5-dihydrofuran-2(3H)-one

(R)-2-methyl-4-oxo-4-phenylbutanoic acid