2,5-Dihydroxy-3-(4-methoxyphenyl)-6-phenyl-1,4-benzoquinone

Base Information

• Chemical Name: 2,5-Dihydroxy-3-(4-methoxyphenyl)-6-phenyl-1,4-benzoquinone
• CAS No.: 6172-50-5
• Molecular Formula: C19H14 O5
• Molecular Weight: 322.3115
• DSSTox Substance ID: DTXSID40441579
• Nikkaji Number: J1.399.745D
• Wikidata: Q82258372
• ChEMBL ID: CHEMBL118856
• Mol file: 6172-50-5.mol

Synonyms:irtk activator, negative control;6172-50-5;2,5-Dihydroxy-3-(4-methoxyphenyl)-6-phenyl-1,4-benzoquinone;irtk activator,negative control;CHEMBL118856;SCHEMBL1063908;DTXSID40441579

Chemical Property of 2,5-Dihydroxy-3-(4-methoxyphenyl)-6-phenyl-1,4-benzoquinone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 261-263 °C
• Boiling Point: 561.885°C at 760 mmHg
• PKA: 2.59±0.50(Predicted)
• Flash Point: 207.504°C
• PSA: 83.83000
• Density: 1.437g/cm³
• LogP: 3.08540
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 322.08412354
• Heavy Atom Count: 24
• Complexity: 587

Purity/Quality:

98%Min ^*data from raw suppliers

2,5-DIHYDROXY-3-(4-METHOXY-PHENYL)-6-PHENYL-[1,4]BENZOQUINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=CC=C3)O

Technology Process of 2,5-Dihydroxy-3-(4-methoxyphenyl)-6-phenyl-1,4-benzoquinone

There total 20 articles about 2,5-Dihydroxy-3-(4-methoxyphenyl)-6-phenyl-1,4-benzoquinone 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: 82.0%

3-Hydroxy-6-[1-(4-methoxy-phenyl)-meth-(Z)-ylidene]-4-phenyl-pyran-2,5-dione (114590-94-2) → 3,6-dihydroxy-2-(4-methoxyphenyl)-5-phenyl-1,4-benzoquinone (6172-50-5)

Guidance literature:

With sodium methylate; In methanol; for 0.5h;

Reference yield: 73.0%

6-Benzyliden-3-hydroxy-4-(4-methoxyphenyl)-2H-pyran-2,5(6H)-dion (104555-22-8) → 3,6-dihydroxy-2-(4-methoxyphenyl)-5-phenyl-1,4-benzoquinone (6172-50-5)

Guidance literature:

With sodium methylate; In methanol; at 40 - 50 ℃; for 0.166667h;

DOI:10.1002/jlac.198619860117

Reference yield:

3-Hydroxy-6-[1-(4-methoxy-phenyl)-meth-(Z)-ylidene]-4-phenyl-pyran-2,5-dione (114590-94-2) → 3,6-dihydroxy-2-(4-methoxyphenyl)-5-phenyl-1,4-benzoquinone (6172-50-5)

Guidance literature:

With sodium ethanolate; In ethanol;

DOI:10.1016/S0040-4039(00)96616-4

upstream raw materials:

3-Hydroxy-6-[1-(4-methoxy-phenyl)-meth-(Z)-ylidene]-4-phenyl-pyran-2,5-dione

3-Hydroxy-6-[1-(4-methoxy-phenyl)-meth-(Z)-ylidene]-4-phenyl-pyran-2,5-dione

6-Benzyliden-3-hydroxy-4-(4-methoxyphenyl)-2H-pyran-2,5(6H)-dion

2,5-dichloro-3-(4-methoxy-phenyl)-6-phenyl-[1,4]benzoquinone

Downstream raw materials:

6-(4-methoxyphenyl)-3-phenylfuro<3,2-b>furan-2,5-dione

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