5-Methyl-7-methoxyisoflavone

Base Information

• Chemical Name: 5-Methyl-7-methoxyisoflavone
• CAS No.: 82517-12-2
• Molecular Formula: C17H14O3
• Molecular Weight: 266.296
• Hs Code.: 29145000
• European Community (EC) Number: 617-342-7
• UNII: NHW23TRU3M
• DSSTox Substance ID: DTXSID201002754
• Nikkaji Number: J1.701.699G
• Wikipedia: 5-Methyl-7-methoxyisoflavone
• Wikidata: Q1176343
• Metabolomics Workbench ID: 73846
• ChEMBL ID: CHEMBL1269598
• Mol file: 82517-12-2.mol

Synonyms:5-methyl-7-methoxyisoflavone

Chemical Property of 5-Methyl-7-methoxyisoflavone

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 2.9E-08mmHg at 25°C
• Melting Point: 116-120 °C
• Refractive Index: 1.605
• Boiling Point: 449.3 °C at 760 mmHg
• Flash Point: 217.5 °C
• PSA: 39.44000
• Density: 1.212 g/cm³
• LogP: 3.77700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 266.094294304
• Heavy Atom Count: 20
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

5-Methyl-7-methoxyisoflavone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=CC=C3)OC

Technology Process of 5-Methyl-7-methoxyisoflavone

There total 5 articles about 5-Methyl-7-methoxyisoflavone 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:

diethyl sulfate (64-67-5) + 7-hydroxy-5-methyl-3-phenyl-chromen-4-one (55338-30-2) + 5-methyl-7-ethoxy-isoflavone → 5-methyl-7-methoxyisoflavone (82517-12-2)

Guidance literature:

With potassium carbonate; In water;

Reference yield:

1,3-dimethoxy-5-methylbenzene (4179-19-5) → 5-methyl-7-methoxyisoflavone (82517-12-2)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: piperidine, pyridine

With piperidine; pyridine; aluminium trichloride;

DOI:10.1248/cpb.39.2681

Reference yield:

phenylacetyl chloride (103-80-0) → 5-methyl-7-methoxyisoflavone (82517-12-2)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: piperidine, pyridine

With piperidine; pyridine; aluminium trichloride;

DOI:10.1248/cpb.39.2681

upstream raw materials:

1-(2-hydroxy-4-methoxy-6-methylphenyl)-2-phenylethan-1-one

orthoformic acid triethyl ester

1,3-dimethoxy-5-methylbenzene

phenylacetyl chloride

Downstream raw materials:

7-hydroxy-5-methyl-3-phenyl-chromen-4-one

[(5-Methyl-4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy]acetic acid

(5-Methyl-4-oxo-3-phenyl-4H-chromen-7-yloxy)-acetic acid ethyl ester

2-(2-hydroxy-4-methoxy-5-methylphenyl)-3-phenyl-pyrimido[1,2-a]benzimidazole

Refernces

• 1、 Kitagawa,Yamamoto,Katakura,Kanno,Yamada,Nagahara,Tanaka. "Aryloxyacetic acid diuretics with uricosuric activity. II. Substituted [(4-oxo-4H-1-benzopyran-7-yl)oxy]acetic acids and the related compounds". . p. 2681 - 2690. Retrieved 2007/10/02.