Ethyl 5-(3,4-dimethoxyphenyl)-5-oxopentanoate

Base Information

• Chemical Name: Ethyl 5-(3,4-dimethoxyphenyl)-5-oxopentanoate
• CAS No.: 101499-71-2
• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.321
• Hs Code.: 2918990090
• NSC Number: 105644
• DSSTox Substance ID: DTXSID50295823
• Wikidata: Q82036001
• Mol file: 101499-71-2.mol

Synonyms:101499-71-2;ethyl 5-(3,4-dimethoxyphenyl)-5-oxopentanoate;ETHYL 5-(3,4-DIMETHOXYPHENYL)-5-OXOVALERATE;MFCD00666098;NSC105644;DTXSID50295823;BEA49971;AKOS016023418;NSC-105644;EN300-352307;ETHYL5-(3,4-DIMETHOXYPHENYL)-5-OXOVALERATE;Z1697934539;5-(3,4-DIMETHOXY-PHENYL)-5-OXO-PENTANOIC ACID ETHYL ESTER

Chemical Property of Ethyl 5-(3,4-dimethoxyphenyl)-5-oxopentanoate

Chemical Property:

• Vapor Pressure: 5.4E-07mmHg at 25°C
• Boiling Point: 411.9°C at 760 mmHg
• Flash Point: 214.8°C
• PSA: 61.83000
• Density: 1.099g/cm³
• LogP: 2.61990
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 280.13107373
• Heavy Atom Count: 20
• Complexity: 315

Purity/Quality:

96% ^*data from raw suppliers

Ethyl5-(3,4-dimethoxyphenyl)-5-oxovalerate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 5-(3,4-dimethoxyphenyl)-5-oxopentanoate

There total 4 articles about Ethyl 5-(3,4-dimethoxyphenyl)-5-oxopentanoate 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:

1,2-dimethoxybenzene (91-16-7) + 5-ethoxy-5-oxopentanoic acid (1070-62-8) → 5-(3,4-dimethoxy-phenyl)-5-oxo-valeric acid ethyl ester (101499-71-2)

Guidance literature:

With PPA;

DOI:10.1021/jo01097a609

Reference yield:

glutaric anhydride, (108-55-4) → 5-(3,4-dimethoxy-phenyl)-5-oxo-valeric acid ethyl ester (101499-71-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium chloride; nitrobenzene

With aluminium trichloride; nitrobenzene;

Reference yield:

1,2-dimethoxybenzene (91-16-7) → 5-(3,4-dimethoxy-phenyl)-5-oxo-valeric acid ethyl ester (101499-71-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium chloride; nitrobenzene

With aluminium trichloride; nitrobenzene;

upstream raw materials:

1,2-dimethoxybenzene

5-ethoxy-5-oxopentanoic acid

5-(3,4-dimethoxy-phenyl)-5-oxo-pentanoic acid

glutaric anhydride,

Downstream raw materials:

5-(3,4-dimethoxy-phenyl)-5-oxo-pentanoic acid

5-(3,4-dimethoxyphenyl)pentanoic acid ethyl ester

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