Cas no 798-61-8 (Trimethoxyisoflavone)

Trimethoxyisoflavone is a synthetic isoflavone derivative characterized by the presence of three methoxy functional groups attached to its core structure. This compound exhibits potential biological activity due to its structural similarity to naturally occurring isoflavones, which are known for their interaction with estrogen receptors and antioxidant properties. Its methoxy substitutions enhance metabolic stability and lipophilicity, making it a candidate for research in pharmacological and biochemical studies. Trimethoxyisoflavone may serve as a valuable intermediate in the synthesis of more complex bioactive molecules or as a reference standard in analytical applications. Further investigation is required to fully elucidate its mechanistic pathways and applications.
Trimethoxyisoflavone structure
Trimethoxyisoflavone structure
Product Name:Trimethoxyisoflavone
CAS No:798-61-8
MF:C18H16O5
MW:312.316645622253
MDL:MFCD00016949
CID:39927
PubChem ID:354334665
Update Time:2025-06-10

Trimethoxyisoflavone Chemical and Physical Properties

Names and Identifiers

    • 4',6,7-Trimethoxyisoflavone
    • 4'.6.7-Trimethoxyisoflavone
    • 6,7-dimethoxy-3-(4-methoxyphenyl)-4H-1-Benzopyran-4-one
    • 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
    • 4',6,7-trimethoxy-isoflavone
    • 6,7,4'-Trihydroxyisoflavon
    • 6,7,4'-Trimethoxy-isoflavon
    • 6,7,4'-trimethoxyisoflavone
    • 6,7-dimethoxy-3-(4-methoxyphenyl)-4h-chromen-4-on
    • 6,7-DIMETHOXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE
    • 6,7-dimethoxy-3-(4-methoxy-phenyl)-chromen-4-one
    • Afromosin-methylaether
    • 6,7-Dimethoxy-3-(4-methoxyphenyl)chromone
    • Isoflavone,4',6,7-trimethoxy- (6CI,7CI,8CI)
    • 7-O-Methylafromosin
    • Afromosin 7-O-methylether
    • Texasin dimethyl ether
    • FT-0710975
    • 798-61-8
    • PD158734
    • Glycitein-7,4'-dimethyl ether
    • Afromosin 7-O-methyl ether
    • YHXIOAVHEXKZCQ-UHFFFAOYSA-N
    • AKOS024285555
    • DivK1c_006911
    • CS-0135952
    • SpecPlus_000815
    • AS-59142
    • KBio1_001855
    • T3410
    • T72954
    • SCHEMBL7030328
    • MFCD00016949
    • 4H-1-Benzopyran-4-one, 6,7-dimethoxy-3-(4-methoxyphenyl)-
    • HY-133951
    • DTXSID60350937
    • CHEMBL12673
    • 6,7-Dimethoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one (ACI)
    • Isoflavone, 4′,6,7-trimethoxy- (6CI, 7CI, 8CI)
    • 6,7,4'-Trimethoxyisoflavone6,7-DIMETHOXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE; 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
    • 4',6,7-trimethoxy isoflavone
    • 1ST158832
    • DB-075629
    • STL434884
    • Trimethoxyisoflavone
    • MDL： MFCD00016949
    • Inchi： 1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-15-9-17(22-3)16(21-2)8-13(15)18(14)19/h4-10H,1-3H3
    • InChI Key： YHXIOAVHEXKZCQ-UHFFFAOYSA-N
    • SMILES： O=C1C2C(=CC(=C(C=2)OC)OC)OC=C1C1C=CC(OC)=CC=1

Computed Properties

  • Exact Mass: 312.10000
  • Monoisotopic Mass: 312.099774
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 452
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 54

Experimental Properties

  • Density: 1.242
  • Melting Point: 177.0 to 181.0 deg-C
  • Boiling Point: 487.5 °C at 760 mmHg
  • Flash Point: 487.5 °C at 760 mmHg
  • Refractive Index: 1.585
  • PSA: 57.90000
  • LogP: 3.48580
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

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Trimethoxyisoflavone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Picolinic acid ,  Potassium carbonate Catalysts: Cuprous iodide Solvents: Dimethylformamide ;  8 h, 135 - 140 °C
Reference
Efficient Synthesis of Glaziovianin A Isoflavone Series from Dill and Parsley Extracts and Their in Vitro/in Vivo Antimitotic Activity
Semenov, Victor V.; et al, Journal of Natural Products, 2016, 79(5), 1429-1438

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  3 h, 70 °C
Reference
Antimicrobial and antioxidant isoflavonoid derivatives from the roots of Amphimas pterocarpoides
Saah, Edwige P. Fodja; et al, Zeitschrift fuer Naturforschung, 2013, 68(8), 931-938

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  12 h, rt
Reference
Biotransformation of isoflavones by the larvae of the common cutworm (Spodoptera litura)
Takahashi, Koji; et al, Chemical & Pharmaceutical Bulletin, 2006, 54(5), 719-721

Production Method 4

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Tetrahydrofuran ;  rt; 2 h, rt
1.2 Reagents: Ammonium chloride Solvents: Water ;  cooled
2.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  18 h, rt
3.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  20 °C; 6 h, rt; overnight, rt
3.2 Reagents: Hydrochloric acid Solvents: Water ;  1 h, pH 3 - 4, rt
4.1 Reagents: Sodium hydroxide ,  Hydrogen peroxide Solvents: Ethanol ,  Water ;  rt; 3 h, 30 °C; 24 h, rt; 30 h, rt
5.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ;  0 °C; 3 h, 20 °C
5.2 Reagents: Sodium bicarbonate Solvents: Water
6.1 Reagents: Picolinic acid ,  Potassium carbonate Catalysts: Cuprous iodide Solvents: Dimethylformamide ;  8 h, 135 - 140 °C
Reference
Efficient Synthesis of Glaziovianin A Isoflavone Series from Dill and Parsley Extracts and Their in Vitro/in Vivo Antimitotic Activity
Semenov, Victor V.; et al, Journal of Natural Products, 2016, 79(5), 1429-1438

Production Method 5

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Dimethylformamide ;  0 °C; 8 h, rt
2.1 Solvents: Diethyl ether ,  Tetrahydrofuran ;  rt; 2 h, rt
2.2 Reagents: Ammonium chloride Solvents: Water ;  cooled
3.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  18 h, rt
4.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  20 °C; 6 h, rt; overnight, rt
4.2 Reagents: Hydrochloric acid Solvents: Water ;  1 h, pH 3 - 4, rt
5.1 Reagents: Sodium hydroxide ,  Hydrogen peroxide Solvents: Ethanol ,  Water ;  rt; 3 h, 30 °C; 24 h, rt; 30 h, rt
6.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ;  0 °C; 3 h, 20 °C
6.2 Reagents: Sodium bicarbonate Solvents: Water
7.1 Reagents: Picolinic acid ,  Potassium carbonate Catalysts: Cuprous iodide Solvents: Dimethylformamide ;  8 h, 135 - 140 °C
Reference
Efficient Synthesis of Glaziovianin A Isoflavone Series from Dill and Parsley Extracts and Their in Vitro/in Vivo Antimitotic Activity
Semenov, Victor V.; et al, Journal of Natural Products, 2016, 79(5), 1429-1438

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium hydroxide ;  40 min, 100 °C
1.2 Reagents: Pyridine ,  Ozone Solvents: Methanol ,  Chloroform ;  1 - 2 h, 15 °C
2.1 Reagents: N-Bromosuccinimide Solvents: Dimethylformamide ;  0 °C; 8 h, rt
3.1 Solvents: Diethyl ether ,  Tetrahydrofuran ;  rt; 2 h, rt
3.2 Reagents: Ammonium chloride Solvents: Water ;  cooled
4.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  18 h, rt
5.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  20 °C; 6 h, rt; overnight, rt
5.2 Reagents: Hydrochloric acid Solvents: Water ;  1 h, pH 3 - 4, rt
6.1 Reagents: Sodium hydroxide ,  Hydrogen peroxide Solvents: Ethanol ,  Water ;  rt; 3 h, 30 °C; 24 h, rt; 30 h, rt
7.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ;  0 °C; 3 h, 20 °C
7.2 Reagents: Sodium bicarbonate Solvents: Water
8.1 Reagents: Picolinic acid ,  Potassium carbonate Catalysts: Cuprous iodide Solvents: Dimethylformamide ;  8 h, 135 - 140 °C
Reference
Efficient Synthesis of Glaziovianin A Isoflavone Series from Dill and Parsley Extracts and Their in Vitro/in Vivo Antimitotic Activity
Semenov, Victor V.; et al, Journal of Natural Products, 2016, 79(5), 1429-1438

Production Method 7

Reaction Conditions
1.1 Catalysts: Boron trifluoride etherate ;  10 min, 120 °C; 120 °C → rt
1.2 10 min, 50 °C
1.3 Reagents: Methanesulfonyl chloride ;  30 min, 80 °C
Reference
Synthesis of various kinds of isoflavones, isoflavanes, and biphenyl-ketones and their 1,1-diphenyl-2-picrylhydrazyl radical-scavenging activities
Goto, Hideyuki; et al, Chemical & Pharmaceutical Bulletin, 2009, 57(4), 346-360

Production Method 8

Reaction Conditions
1.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ;  0 °C; 3 h, 20 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water
2.1 Reagents: Picolinic acid ,  Potassium carbonate Catalysts: Cuprous iodide Solvents: Dimethylformamide ;  8 h, 135 - 140 °C
Reference
Efficient Synthesis of Glaziovianin A Isoflavone Series from Dill and Parsley Extracts and Their in Vitro/in Vivo Antimitotic Activity
Semenov, Victor V.; et al, Journal of Natural Products, 2016, 79(5), 1429-1438

Production Method 9

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Hydrogen peroxide Solvents: Ethanol ,  Water ;  rt; 3 h, 30 °C; 24 h, rt; 30 h, rt
2.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ;  0 °C; 3 h, 20 °C
2.2 Reagents: Sodium bicarbonate Solvents: Water
3.1 Reagents: Picolinic acid ,  Potassium carbonate Catalysts: Cuprous iodide Solvents: Dimethylformamide ;  8 h, 135 - 140 °C
Reference
Efficient Synthesis of Glaziovianin A Isoflavone Series from Dill and Parsley Extracts and Their in Vitro/in Vivo Antimitotic Activity
Semenov, Victor V.; et al, Journal of Natural Products, 2016, 79(5), 1429-1438

Production Method 10

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  20 °C; 6 h, rt; overnight, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  1 h, pH 3 - 4, rt
2.1 Reagents: Sodium hydroxide ,  Hydrogen peroxide Solvents: Ethanol ,  Water ;  rt; 3 h, 30 °C; 24 h, rt; 30 h, rt
3.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ;  0 °C; 3 h, 20 °C
3.2 Reagents: Sodium bicarbonate Solvents: Water
4.1 Reagents: Picolinic acid ,  Potassium carbonate Catalysts: Cuprous iodide Solvents: Dimethylformamide ;  8 h, 135 - 140 °C
Reference
Efficient Synthesis of Glaziovianin A Isoflavone Series from Dill and Parsley Extracts and Their in Vitro/in Vivo Antimitotic Activity
Semenov, Victor V.; et al, Journal of Natural Products, 2016, 79(5), 1429-1438

Production Method 11

Reaction Conditions
1.1 Reagents: Potassium hydroxide ;  40 min, 100 °C
1.2 Reagents: Pyridine ,  Ozone Solvents: Methanol ,  Chloroform ;  1 - 2 h, 15 °C
2.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  20 °C; 6 h, rt; overnight, rt
2.2 Reagents: Hydrochloric acid Solvents: Water ;  1 h, pH 3 - 4, rt
3.1 Reagents: Sodium hydroxide ,  Hydrogen peroxide Solvents: Ethanol ,  Water ;  rt; 3 h, 30 °C; 24 h, rt; 30 h, rt
4.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ;  0 °C; 3 h, 20 °C
4.2 Reagents: Sodium bicarbonate Solvents: Water
5.1 Reagents: Picolinic acid ,  Potassium carbonate Catalysts: Cuprous iodide Solvents: Dimethylformamide ;  8 h, 135 - 140 °C
Reference
Efficient Synthesis of Glaziovianin A Isoflavone Series from Dill and Parsley Extracts and Their in Vitro/in Vivo Antimitotic Activity
Semenov, Victor V.; et al, Journal of Natural Products, 2016, 79(5), 1429-1438

Production Method 12

Reaction Conditions
1.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  18 h, rt
2.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  20 °C; 6 h, rt; overnight, rt
2.2 Reagents: Hydrochloric acid Solvents: Water ;  1 h, pH 3 - 4, rt
3.1 Reagents: Sodium hydroxide ,  Hydrogen peroxide Solvents: Ethanol ,  Water ;  rt; 3 h, 30 °C; 24 h, rt; 30 h, rt
4.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ;  0 °C; 3 h, 20 °C
4.2 Reagents: Sodium bicarbonate Solvents: Water
5.1 Reagents: Picolinic acid ,  Potassium carbonate Catalysts: Cuprous iodide Solvents: Dimethylformamide ;  8 h, 135 - 140 °C
Reference
Efficient Synthesis of Glaziovianin A Isoflavone Series from Dill and Parsley Extracts and Their in Vitro/in Vivo Antimitotic Activity
Semenov, Victor V.; et al, Journal of Natural Products, 2016, 79(5), 1429-1438

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Amadis Chemical Company Limited
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(CAS:798-61-8)Trimethoxyisoflavone
Order Number:A1051033
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:32
Price ($):412.0

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Additional information on Trimethoxyisoflavone

Exploring Trimethoxyisoflavone (CAS No. 798-61-8): A Comprehensive Guide to Its Properties and Applications

Trimethoxyisoflavone (CAS No. 798-61-8) is a naturally occurring isoflavone derivative that has garnered significant attention in recent years due to its potential health benefits and applications in various industries. This compound, also known as 5,7,4'-trimethoxyisoflavone, belongs to the flavonoid family and is structurally characterized by three methoxy groups attached to its core isoflavone skeleton. Its unique chemical properties make it a subject of interest for researchers in fields ranging from nutraceuticals to cosmetics.

One of the most searched questions about Trimethoxyisoflavone is its role in skin health. Recent studies suggest that this compound may exhibit antioxidant and anti-inflammatory properties, making it a popular ingredient in anti-aging skincare formulations. Consumers are increasingly looking for natural alternatives to synthetic compounds, and Trimethoxyisoflavone fits this demand perfectly. Its ability to potentially neutralize free radicals and reduce oxidative stress aligns with the growing trend of clean beauty and holistic wellness.

Another hot topic surrounding Trimethoxyisoflavone is its potential role in metabolic health. With the rise of lifestyle-related conditions such as obesity and diabetes, many users are searching for natural compounds that can support glucose metabolism and weight management. Preliminary research indicates that Trimethoxyisoflavone may influence certain metabolic pathways, though more clinical studies are needed to confirm these effects. This aligns with the increasing consumer interest in functional foods and nutraceuticals.

The pharmacokinetics and bioavailability of Trimethoxyisoflavone are also frequently discussed in scientific circles. Understanding how the body absorbs and processes this compound is crucial for optimizing its therapeutic potential. Researchers are exploring various delivery systems, such as nanotechnology and liposomal encapsulation, to enhance its bioefficacy. These advancements are particularly relevant in the context of personalized medicine, another trending topic in healthcare.

In the realm of plant biochemistry, Trimethoxyisoflavone is often studied for its role as a phytoalexin—a compound produced by plants in response to stress or pathogens. This has led to investigations into its potential applications in sustainable agriculture as a natural pesticide or growth enhancer. As the world shifts toward eco-friendly farming practices, such natural solutions are gaining traction among farmers and agronomists.

From a commercial perspective, the demand for high-purity Trimethoxyisoflavone (CAS No. 798-61-8) has been steadily increasing. Suppliers and manufacturers are focusing on green extraction methods to meet the needs of environmentally conscious buyers. Techniques like supercritical fluid extraction and ultrasound-assisted extraction are being optimized to obtain this compound with minimal environmental impact, reflecting the broader industry shift toward sustainable sourcing.

Quality control is another critical aspect when dealing with Trimethoxyisoflavone. Analytical methods such as HPLC (High-Performance Liquid Chromatography) and LC-MS (Liquid Chromatography-Mass Spectrometry) are commonly employed to ensure the compound's purity and consistency. This is particularly important for companies formulating dietary supplements or cosmeceuticals, where product efficacy and safety are paramount.

Looking ahead, the future of Trimethoxyisoflavone research appears promising. With advancements in omics technologies (genomics, proteomics, and metabolomics), scientists are gaining deeper insights into its mechanisms of action. This could unlock new applications in areas like precision nutrition and preventive healthcare, further driving its popularity among health-conscious consumers and professionals alike.

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Amadis Chemical Company Limited
(CAS:798-61-8)Trimethoxyisoflavone
A1051033
Purity:99%
Quantity:5g
Price ($):412.0
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