Ethyl 6-(4-methoxyphenyl)-6-oxohexanoate

Base Information

• Chemical Name: Ethyl 6-(4-methoxyphenyl)-6-oxohexanoate
• CAS No.: 42916-80-3
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.321
• DSSTox Substance ID: DTXSID70568162
• Wikidata: Q82454335
• Mol file: 42916-80-3.mol

Synonyms:ETHYL 6-(4-METHOXYPHENYL)-6-OXOHEXANOATE;42916-80-3;MFCD01311625;SCHEMBL9308927;DTXSID70568162;RKKGMVLEKSTIOR-UHFFFAOYSA-N;ethyl 5-(4-methoxybenzoyl)pentanoate;AKOS016023173;ETHYL6-(4-METHOXYPHENYL)-6-OXOHEXANOATE

Chemical Property of Ethyl 6-(4-methoxyphenyl)-6-oxohexanoate

Chemical Property:

• Vapor Pressure: 4.06E-06mmHg at 25°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 264.13615911
• Heavy Atom Count: 19
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

Ethyl6-(4-methoxyphenyl)-6-oxohexanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 6-(4-methoxyphenyl)-6-oxohexanoate

There total 4 articles about Ethyl 6-(4-methoxyphenyl)-6-oxohexanoate 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: 50.0%

ethyl 6-chloro-6-oxohexanoate (1071-71-2) + methoxybenzene (100-66-3) → ethyl 6-(4-methoxyphenyl)-6-oxohexanoate (42916-80-3)

Guidance literature:

With aluminium trichloride; In 1,1,2,2-tetrachloroethylene;

DOI:10.1246/bcsj.63.1049

Reference yield:

ethyl 5-bromo-6-hydroxy-6-(4-methoxyphenyl)hexanoate (1021934-35-9) → ethyl 5-(4-methoxyphenyl)-6-oxohexanoate (1021934-37-1) + ethyl 6-(4-methoxyphenyl)-6-oxohexanoate (42916-80-3)

Guidance literature:

With diethylzinc; In dichloromethane; at 20 ℃; for 2h; Title compound not separated from byproducts.;

DOI:10.1021/jo800231s

Reference yield:

adipinic acid monoethyl ester (626-86-8) → ethyl 6-(4-methoxyphenyl)-6-oxohexanoate (42916-80-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent

2: 50 percent / AlCl₃ / tetrachloroethene

With aluminium trichloride; In 1,1,2,2-tetrachloroethylene;

DOI:10.1246/bcsj.63.1049

upstream raw materials:

ethyl 6-chloro-6-oxohexanoate

methoxybenzene

adipinic acid monoethyl ester

ethyl 5-bromo-6-hydroxy-6-(4-methoxyphenyl)hexanoate

Downstream raw materials:

3-(4-methoxy-phenyl)-oct-2ξ-enedioic acid

6-ethoxy-6-(4-methoxyphenyl)hexanoic acid

(E)-6-(p-methoxyphenyl)-5-hexenyl 9-phenanthrenecarboxylate

(Z)-6-(p-methoxyphenyl)-5-hexenyl 9-phenanthrenecarboxylate

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