Methyl gamma-oxobenzeneheptanoate

Base Information

• Chemical Name: Methyl gamma-oxobenzeneheptanoate
• CAS No.: 160723-52-4
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.295
• DSSTox Substance ID: DTXSID901307183
• Mol file: 160723-52-4.mol

Synonyms:Methyl gamma-oxobenzeneheptanoate;DTXSID901307183;AKOS013214480;160723-52-4

Chemical Property of Methyl gamma-oxobenzeneheptanoate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 234.125594432
• Heavy Atom Count: 17
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CCC(=O)CCCC1=CC=CC=C1

Technology Process of Methyl gamma-oxobenzeneheptanoate

There total 5 articles about Methyl gamma-oxobenzeneheptanoate 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: 60.0%

(E)-methyl 4-nitro-7-phenyl-4-heptenoate (157560-07-1) → methyl 4-oxo-7-phenylheptanoate (160723-52-4)

Guidance literature:

With sodium hypophosphite; buffer acetate; nickel; In ethanol; at 50 ℃; for 3h;

Reference yield: 53.0%

1-Bromo-3-phenylpropane (637-59-2) + succinic acid monomethylester chloride (1490-25-1) → methyl 4-oxo-7-phenylheptanoate (160723-52-4)

Guidance literature:

1-Bromo-3-phenylpropane; With iodine; magnesium; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

succinic acid monomethylester chloride; In tetrahydrofuran; at -78 - 0 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201702599

Reference yield: 41.0%

4-Phenyl-1-butyne (16520-62-0) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 4-oxo-7-phenylheptanoic acid (53668-52-3) + methyl 4-oxo-7-phenylheptanoate (160723-52-4)

Guidance literature:

With [RuCl₂(dppm)(NCCH₃)2]; water; In 1,4-dioxane; at 100 ℃; for 24h;

DOI:10.1002/asia.201100266

upstream raw materials:

(E)-methyl 4-nitro-7-phenyl-4-heptenoate

acrylic acid methyl ester

3-phenyl-propionaldehyde

4-Phenyl-1-butyne

Downstream raw materials:

(+)-(R)-5-(3-phenylpropyl)dihydrofuran-2(3H)-one