5-(3,4,5-Trimethoxyphenyl)cyclohexane-1,3-dione

Base Information

• Chemical Name: 5-(3,4,5-Trimethoxyphenyl)cyclohexane-1,3-dione
• CAS No.: 144128-69-8
• Molecular Formula: C₁₅H₁₈O₅
• Molecular Weight: 278.305
• DSSTox Substance ID: DTXSID401243267

Synonyms:5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione;144128-69-8;SCHEMBL15992739;DRSDSCJOFHJYQQ-UHFFFAOYSA-N;DTXSID401243267;MFCD08273485;AKOS000266465;VS-10122;5-(3,4,5-trimethoxyphenyl)-1,3-cyclohexanedione

Chemical Property of 5-(3,4,5-Trimethoxyphenyl)cyclohexane-1,3-dione

Chemical Property:

• Boiling Point: 433.2±45.0 °C(Predicted)
• PKA: 4.77±0.20(Predicted)
• Density: 1.181±0.06 g/cm3(Predicted)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 278.11542367
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

98%min ^*data from raw suppliers

5-(3,4,5-Trimethoxyphenyl)cyclohexane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2CC(=O)CC(=O)C2

Technology Process of 5-(3,4,5-Trimethoxyphenyl)cyclohexane-1,3-dione

There total 4 articles about 5-(3,4,5-Trimethoxyphenyl)cyclohexane-1,3-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:

4-(3,4,5-trimethoxyphenyl)-3-buten-2-one (10421-02-0) → 5-(3,4,5-Trimethoxy-phenyl)-cyclohexane-1,3-dione (144128-69-8)

Guidance literature:

Multi-step reaction with 3 steps

1: EtONa / ethanol / 6 h / Heating

2: 2 N NaOH / 2 h / Heating

3: 5 N H₂SO₄ / 4.5 h / Heating

With sodium hydroxide; sulfuric acid; sodium ethanolate; In ethanol;

DOI:10.1021/jm00097a001

Reference yield:

3,4,5-trimethoxy-benzaldehyde (86-81-7) → 5-(3,4,5-Trimethoxy-phenyl)-cyclohexane-1,3-dione (144128-69-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 100 percent / 50percent aq. NaOH / 72 h / Ambient temperature

2: EtONa / ethanol / 6 h / Heating

3: 2 N NaOH / 2 h / Heating

4: 5 N H₂SO₄ / 4.5 h / Heating

With sodium hydroxide; sulfuric acid; sodium ethanolate; In ethanol;

DOI:10.1021/jm00097a001

Reference yield:

C16H16O7(2-)*2Na(1+) → 5-(3,4,5-Trimethoxy-phenyl)-cyclohexane-1,3-dione (144128-69-8)

Guidance literature:

With sulfuric acid; for 4.5h; Yield given; Heating;

DOI:10.1021/jm00097a001

upstream raw materials:

4-(3,4,5-trimethoxyphenyl)-3-buten-2-one

3,4,5-trimethoxy-benzaldehyde

Downstream raw materials:

2-(bromomethyl)-6,7-dihydro-6-(3,4,5-trimethoxyphenyl)benzofuran-4(5H)-one

7-Chloro-10-hydroxy-1-[(E)-3-piperidin-1-yl-propylimino]-3-(3,4,5-trimethoxy-phenyl)-1,3,4,10-tetrahydro-2H-acridin-9-one

7-Chloro-1-[(E)-3-diethylamino-2,2-dimethyl-propylimino]-10-hydroxy-3-(3,4,5-trimethoxy-phenyl)-1,3,4,10-tetrahydro-2H-acridin-9-one

7-Chloro-10-hydroxy-1-[(E)-3-pyrrolidin-1-yl-propylimino]-3-(3,4,5-trimethoxy-phenyl)-1,3,4,10-tetrahydro-2H-acridin-9-one

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