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574-12-9

Basic Information
CAS No.: 574-12-9
Name: Isoflavone
Article Data: 66
Molecular Structure:
Molecular Structure of 574-12-9 (Isoflavone)
Formula: C15H10O2
Molecular Weight: 222.243
Synonyms: Isoflavone(6CI,7CI,8CI);3-Phenyl-4-chromone;3-Phenylchromone;Isoflavone 80;NSC 135405;4H-1-Benzopyran-4-one,3-phenyl-;
EINECS: 611-522-9
Density: 1.239 g/cm3
Melting Point: 150oC
Boiling Point: 367 °C at 760 mmHg
Flash Point: 171.1 °C
PSA: 30.21000
LogP: 3.46000
Synthetic route
2491-31-8

2-hydroxy-deoxybenzoin

574-12-9

isoflavone

Conditions
ConditionsYield
With methanesulfonyl chloride In N,N-dimethyl-formamide at 60 - 70℃; for 1h;98%
122775-34-2

3-iodo-chromen-4-one

98-80-6

phenylboronic acid

574-12-9

isoflavone

Conditions
ConditionsYield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In ethanol; benzene for 15h; Heating;97.8%
With sodium carbonate; palladium on activated charcoal In 1,2-dimethoxyethane; water at 25℃; for 12h; Suzuki-Miyaura cross-coupling;95%
With palladium diacetate; sodium carbonate In methanol at 50℃; for 3h; Suzuki Coupling;95%
Conditions
ConditionsYield
With sulfuric acid; iodine; dimethyl sulfoxide at 100℃; for 0.5h;97%
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethylsulfoxide-d6 at 85℃; for 48h;45%
2491-31-8

2-hydroxy-deoxybenzoin

122-51-0

orthoformic acid triethyl ester

574-12-9

isoflavone

Conditions
ConditionsYield
With dmap at 100℃; for 4h;96%
With piperidine; pyridine for 8h; Heating;91%
3-(2-bromophenyl)-3-oxo-2-phenylpropanal
1258792-30-1

3-(2-bromophenyl)-3-oxo-2-phenylpropanal

574-12-9

isoflavone

Conditions
ConditionsYield
With 2-Picolinic acid; copper(l) iodide; potassium carbonate In N,N-dimethyl-formamide at 135 - 140℃; for 20h; Inert atmosphere;96%
140870-46-8

3-phenyl-3-(phenylsulfonyl)chroman-4-one

574-12-9

isoflavone

Conditions
ConditionsYield
With aluminium trichloride In dichloromethane for 0.166667h; Ambient temperature;95%
49619-82-1

3-bromo-4H-chromen-4-one

98-80-6

phenylboronic acid

574-12-9

isoflavone

Conditions
ConditionsYield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In water; benzene for 6h; Heating;94%
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In benzene for 53h; Hoshino-Suzuki-Miyaura coupling; Reflux; Inert atmosphere;94%
With potassium carbonate; (1-benzothiazol-2-yl-ethanone oxime)dichloropalladium(II) In toluene at 150℃; for 0.133333h; Suzuki-Miyaura cross-coupling; microwave irradiation;93%
487-26-3

Flavanone

574-12-9

isoflavone

Conditions
ConditionsYield
With thallium(III) acetate; toluene-4-sulfonic acid In various solvent(s)94%
With thallium(III) toluene-p-sulfonate In various solvent(s) for 3h; Heating;94%
With thallium(III) perchlorate In water; acetonitrile for 0.333333h; Heating;94%
2491-31-8

2-hydroxy-deoxybenzoin

68-12-2, 33513-42-7

N,N-dimethyl-formamide

574-12-9

isoflavone

Conditions
ConditionsYield
With dmap at 100℃; for 4h;92%
Stage #1: 2-hydroxy-deoxybenzoin With boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 20℃; for 0.5h;
Stage #2: N,N-dimethyl-formamide With trichlorophosphate In tetrahydrofuran at 20℃;
Stage #3: With hydrogenchloride In tetrahydrofuran; water at 20℃; for 1h;
80%
With boron trifluoride diethyl etherate; methanesulfonyl chloride at 110℃; for 21h; Yield given;
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  • Casno:

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    FOB Price:  USD $ 0.0-0.0

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    Business Type:Lab/Research institutions

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  • Soy Isoflavone CAS: 574-12-9

  • Casno:

    574-12-9

    Soy Isoflavone CAS: 574-12-9

    Min.Order: 1 Gram

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    Hebei Mojin Biotechnology Co., Ltd,Our business covers more than 30 countries, most of the big customers come from Europe, America and other countries in the world, we can guarantee the quality and price. In recent decades, with the efforts of all em

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  • Isoflavone

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    574-12-9

    Isoflavone

    Min.Order: 0

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    Henan Wentao Chemical Product Co.,Ltd is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds, which are widely used in the fields of prod

    The company is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds,

  •  Henan Wentao Chemical Product Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

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  • Isoflavone

  • Casno:

    574-12-9

    Isoflavone

    Min.Order: 1 Kilogram

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    1. Timely and efficient service to ensure communication with customers 2. Produce products of different specifications and sizes according to your requirements. 3. Quality procedures and standards recognized by SGS. Advanced plant equipment ensures s

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    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

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  • Soybean Extract Isoflavones

  • Casno:

    574-12-9

    Soybean Extract Isoflavones

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 8.0-8.0

    Soybean Extract Isoflavones Product Name:Soy Isoflavones(Soybean Extract) Latin Name:Clycine max (L.) Merr Specification:10%/20%40%/60%/90% Soy isoflavones Appearance:Light brown powder to off white powder CAS No.:574-12-9 Part Used:Soybean

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    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:05722157374

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  • Isoflavone

  • Casno:

    574-12-9

    Isoflavone

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 18.0-20.0

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    Business Type:Lab/Research institutions

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  • Isoflavone

  • Casno:

    574-12-9

    Isoflavone

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    Hangzhou KeyingChem Co., Ltd. exported this product to many countries and regions at best price. If you are looking for the material’s manufacturer or supplier in China, KeyingChem is your best choice. Pls contact with us freely for getting det

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    Business Type:Lab/Research institutions

    Tel:+86-571-85378921

    Address:Jintong international Building, No.113,Huayuangang Street, Gong shu District, Hangzhou,Zhejiang, China.

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  • Isoflavone

  • Casno:

    574-12-9

    Isoflavone

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    J&H CHEM R&D center can offer custom synthesis according to the contract research and development services for the fine chemicals, pharmaceutical, biotechnique and some of the other chemicals. J&H CHEM has some Manufacturing base in Jia

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    Business Type:Lab/Research institutions

    Tel:+86-571-87396432

    Address:No.200 Zhenhua Rd.Xihu Industrial Park, Hangzhou 310030, China

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  • Isoflavone

  • Casno:

    574-12-9

    Isoflavone

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-1.0

    Massive Chemical is certified with ISO9001 and ISO14001 manufacturer for this product. We will offer all documents as requirement for the materials which includes, Certificate of Analysis, Material Safety Data Sheet, and Method of Analysis and

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     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86 21 34943721

    Address:Room 435, 4th floor, Building 9, No. 2568 Gudai Road,Minhang District, Shanghai,

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Specification

1. Introduction of Isoflavone
Isoflavone is one kind of light yellow powder or off yellow or yellow powder. Its IUPAC Name is 3-phenylchromen-4-one. Isoflavone is highly soluble in water. It also can be called Isoflavone; NSC 135405; 4H-1-Benzopyran-4-one, 3-phenyl- (9CI); Isoflavone (8CI).

2. Properties of Isoflavone
Physical properties about Isoflavone are:
(1)Index of Refraction: 1.635; (2)Molar Refractivity: 64.2 cm3; (3)Molar Volume: 179.2 cm3; (4)Polarizability: 25.45×10-24 cm3; (5)Surface Tension: 49.5 dyne/cm; (6)Density: 1.239 g/cm3; (7)Flash Point: 171.1 °C; (8)Enthalpy of Vaporization: 61.35 kJ/mol; (9)Boiling Point: 367 °C at 760 mmHg; (10)Vapour Pressure: 1.41E-05 mmHg at 25°C; (11)XLogP3-AA: 3.2; (12)H-Bond Donor: 0; (13)H-Bond Acceptor: 2; (14)Rotatable Bond Count: 1; (15)Exact Mass: 222.06808; (16)MonoIsotopic Mass: 222.06808; (17)Topological Polar Surface Area: 26.3; (18)Heavy Atom Count: 17; (19)Formal Charge: 0; (20)Complexity: 326; (21)Isotope Atom Count: 0; (22)Defined Atom Stereocenter Count: 0; (23)Undefined Atom Stereocenter Count: 0; (24)Defined Bond Stereocenter Count: 0; (25)Undefined Bond Stereocenter Count: 0; (26)Covalently-Bonded Unit Count: 1; (27)Feature 3D Acceptor Count: 2; (28)Feature 3D Ring Count: 3; (29)Effective Rotor Count: 1; (30)Conformer Sampling RMSD: 0.6.

3. Structure Descriptors of Isoflavone
(1)Canonical SMILES: C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
(2)InChI: InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
(3)InChIKey: GOMNOOKGLZYEJT-UHFFFAOYSA-N
(4)Smiles: c1(c(c2ccccc2oc1)=O)c1ccccc1

4. Uses of Isoflavone
Isoflavones comprise a class of organic compounds, often naturally occurring, related to the isoflavonoids. It can be used as medicine additives, functional food additives,cosmetic additives etc. Besides, Isoflavone is applied in food field,health product field,cosmetics field,pharmaceutical field.