5,6-Dimethoxy-3-methyl-2,3-dihydro-1H-inden-1-one

Base Information

• Chemical Name: 5,6-Dimethoxy-3-methyl-2,3-dihydro-1H-inden-1-one
• CAS No.: 4082-25-1
• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.241
• DSSTox Substance ID: DTXSID20345607
• Nikkaji Number: J141.103I
• Mol file: 4082-25-1.mol

Synonyms:5,6-Dimethoxy-3-methyl-2,3-dihydro-1H-inden-1-one;4082-25-1;5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one;3-Methyl-5,6-dimethoxy-2,3-dihydro-1H-indene-1-one;1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-3-methyl-;5,6-dimethoxy-3-methylindan-1-one;SCHEMBL3079250;3-methyl-5,6-dimethoxyindanone;DTXSID20345607;5,6 -dimethoxy-3-methylindan-1-one;5,6-Dimethoxy-3-methyl-indan-1-one;AKOS013133822;5,6-Dimethoxy-3-methyl-1-indanone #;A873222;2,3-Dihydro-5,6-dimethoxy-3-methyl-1H-inden-1-one

Chemical Property of 5,6-Dimethoxy-3-methyl-2,3-dihydro-1H-inden-1-one

Chemical Property:

• Melting Point: 90-91 °C
• Boiling Point: 324.5±42.0 °C(Predicted)
• Density: 1.126±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

5,6-Dimethoxy-3-methyl-2,3-dihydro-1H-inden-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C2=CC(=C(C=C12)OC)OC

Technology Process of 5,6-Dimethoxy-3-methyl-2,3-dihydro-1H-inden-1-one

There total 10 articles about 5,6-Dimethoxy-3-methyl-2,3-dihydro-1H-inden-1-one 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: 71.0%

1,2-dimethoxybenzene (91-16-7) + but-3-enoic acid (625-38-7) → 2,3-dihydro-5,6-dimethoxy-3-methyl-1H-inden-1-one (4082-25-1)

Guidance literature:

With PPA; at 60 ℃; for 15h;

DOI:10.1002/ejoc.200300174

Reference yield: 70.0%

1,2-dimethoxybenzene (91-16-7) + formamido-2-butenamide (90802-47-4) → 2,3-dihydro-5,6-dimethoxy-3-methyl-1H-inden-1-one (4082-25-1)

Guidance literature:

With PPA; at 130 ℃; for 5h;

Reference yield: 68.0%

5-[1-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione → 2,3-dihydro-5,6-dimethoxy-3-methyl-1H-inden-1-one (4082-25-1)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In nitromethane; at 100 ℃; for 0.333333h;

DOI:10.1021/jo0483724

upstream raw materials:

3-(3,4-dimethoxy-phenyl)-butyric acid

1,2-dimethoxybenzene

(E)-but-2-enoic acid

formamido-2-butenamide

Downstream raw materials:

4-Amino-5-hydroxy-6-methoxy-3-methyl-1-indanone

C₁₉H₂₂N₂O₄S

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