5-Methoxy-2-propylnaphthalene-1,4-dione

Base Information

• Chemical Name: 5-Methoxy-2-propylnaphthalene-1,4-dione
• CAS No.: 80213-83-8
• Molecular Formula: C₁₄H₁₄O₃
• Molecular Weight: 230.263
• DSSTox Substance ID: DTXSID80509066
• Nikkaji Number: J2.234.633D
• Wikidata: Q82366400
• Mol file: 80213-83-8.mol

Synonyms:5-Methoxy-2-propylnaphthalene-1,4-dione;80213-83-8;SCHEMBL14303805;DTXSID80509066

Chemical Property of 5-Methoxy-2-propylnaphthalene-1,4-dione

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.094294304
• Heavy Atom Count: 17
• Complexity: 357

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=O)C2=C(C1=O)C=CC=C2OC

Technology Process of 5-Methoxy-2-propylnaphthalene-1,4-dione

There total 2 articles about 5-Methoxy-2-propylnaphthalene-1,4-dione 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-Pentyne (627-19-0) → 2-n-propyl-5-methoxy-1,4-naphthoquinone (80213-83-8) + 2-[2-(2-Methoxy-phenyl)-2-oxo-eth-(Z)-ylidene]-pentanoic acid methyl ester (137395-75-6)

Guidance literature:

With Ce(NH₄)6(NO₂)2; nitric acid; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, 45 deg C, 24 h, 2.) ether, RT, 30 min;

DOI:10.1021/ja00024a040

Reference yield:

1-Pentyne (627-19-0) → 7-Methoxy-3-propyl-indan-1-one + 1,7-Dimethoxy-3-propyl-1H-indene (137395-47-2) + 2-n-propyl-5-methoxy-1,4-naphthoquinone (80213-83-8) + 2-[2-(2-Methoxy-phenyl)-2-oxo-eth-(Z)-ylidene]-pentanoic acid methyl ester (137395-75-6)

Guidance literature:

With Ce(NH₄)6(NO₂)2; nitric acid; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, 110 deg C, 40 min, 2.) ether, RT, 30 min;

DOI:10.1021/ja00024a040

upstream raw materials:

1-Pentyne