Ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Base Information

• Chemical Name: Ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
• CAS No.: 88354-19-2
• Molecular Formula: C₂₃H₂₆O₇
• Molecular Weight: 414.455
• NSC Number: 113055
• DSSTox Substance ID: DTXSID70297001
• Mol file: 88354-19-2.mol

Synonyms:88354-19-2;NSC113055;ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate;DTXSID70297001;NSC-113055

Chemical Property of Ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.54E-11mmHg at 25°C
• Boiling Point: 535.4°Cat760mmHg
• Flash Point: 231.2°C
• Density: 1.194g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 414.16785316
• Heavy Atom Count: 30
• Complexity: 594

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CC(=O)C2=CC(=C(C=C2C1C3=CC(=C(C=C3)OC)OC)OC)OC

Technology Process of Ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

There total 6 articles about Ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate 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: 90.0%

2-(3,4-Dimethoxy-benzoyl)-3-(3,4-dimethoxy-phenyl)-cyclopropanecarboxylic acid ethyl ester (76934-58-2) → 6,7-dimethoxy-4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-3,4-dihydronaphthalene-1(2H)-one (76934-61-7,88354-19-2)

Guidance literature:

With tin(IV) chloride; In nitromethane; for 45h; Ambient temperature;

DOI:10.1016/S0040-4039(00)78730-2

Reference yield: 90.0%

ethyl 2-(3,4-dimethoxybenzoyl)-3-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate (76934-58-2,82264-60-6,82264-66-2) → 6,7-dimethoxy-4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-3,4-dihydronaphthalene-1(2H)-one (76934-61-7,88354-19-2)

Guidance literature:

With tin(IV) chloride; In nitromethane; for 45h; Ambient temperature;

Reference yield: 40.0%

ethyl 2-(3,4-dimethoxybenzoyl)-3-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate (76934-58-2,82264-60-6,82264-66-2) → 6,7-dimethoxy-4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-3,4-dihydronaphthalene-1(2H)-one (76934-61-7,88354-19-2) + 4-(3,4-Dimethoxy-phenyl)-2-[(3,4-dimethoxy-phenyl)-hydroxy-methyl]-4-oxo-butyric acid ethyl ester (76934-70-8,76934-71-9) + 4-(3,4-Dimethoxy-phenyl)-2-[(3,4-dimethoxy-phenyl)-hydroxy-methyl]-4-oxo-butyric acid ethyl ester (76934-70-8,76934-71-9)

Guidance literature:

With tin(IV) chloride; In dichloromethane; for 50h; Title compound not separated from byproducts; Ambient temperature;

upstream raw materials:

1-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydro-[2]naphthoic acid

2-(3,4-Dimethoxy-benzoyl)-3-(3,4-dimethoxy-phenyl)-cyclopropanecarboxylic acid ethyl ester

ethyl 2-(3,4-dimethoxybenzoyl)-3-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate

1,3‐bis(3,4‐dimethoxyphenyl)prop‐2‐en‐1‐one

Downstream raw materials:

(+/-)-1t-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydro-[2r]naphthoic acid

(+/-)-1t-(3,4-dimethoxy-phenyl)-3-formyl-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydro-[2r]naphthoic acid ethyl ester

1-(2-bromo-4,5-dimethoxy-phenyl)-4-hydroxy-6,7-dimethoxy-[2]naphthoic acid ethyl ester

1-(3,4-dimethoxy-phenyl)-4-hydroxy-6,7-dimethoxy-[2]naphthoic acid ethyl ester