5-Methoxyflavone

Base Information

• Chemical Name: 5-Methoxyflavone
• CAS No.: 42079-78-7
• Molecular Formula: C16H12O3
• Molecular Weight: 252.269
• Hs Code.: 2914509090
• European Community (EC) Number: 255-652-0
• DSSTox Substance ID: DTXSID40194917
• Nikkaji Number: J278.326F
• Metabolomics Workbench ID: 74656
• ChEMBL ID: CHEMBL16685
• Mol file: 42079-78-7.mol

Synonyms:5-methoxyflavone

Chemical Property of 5-Methoxyflavone

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 2.39E-07mmHg at 25°C
• Melting Point: 131-133 °C
• Refractive Index: 1,548
• Boiling Point: 422.5 °C at 760 mmHg
• Flash Point: 201.1 °C
• PSA: 39.44000
• Density: 1.24 g/cm³
• LogP: 3.46860
• Solubility.: soluble in Methanol
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 368

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Methoxyflavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3

Technology Process of 5-Methoxyflavone

There total 32 articles about 5-Methoxyflavone 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: 98.0%

5-methoxyflavanone (55947-36-9,123931-32-8) → 5-methoxyflavone (42079-78-7)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 90 ℃; for 24h;

DOI:10.1016/j.tet.2010.06.014

Reference yield: 98.0%

5-Hydroxyflavone (491-78-1,66585-06-6) + carbonic acid dimethyl ester (616-38-6) → 5-methoxyflavone (42079-78-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 90 ℃; for 48h;

DOI:10.3390/molecules16021418

Reference yield: 80.0%

1-(2-Hydroxy-4-methoxyphenyl)-3-phenylpropyn-1-one (98153-26-5) → 5-methoxyflavone (42079-78-7)

Guidance literature:

With potassium carbonate; In acetone; for 1h; Heating;

DOI:10.1021/jo00301a027

upstream raw materials:

2'-Hydroxy-6'-methoxychalcone

1-(2-benzoyloxy-6-methoxy-phenyl)-ethanone

phenylpropiolyl chloride

1,3-Dimethoxybenzene

Downstream raw materials:

5-Hydroxyflavone

primetin

5-acetoxyflavone

5-methoxyflavanone

Refernces

• 1、 Taylor, Cassandra,Bolshan, Yuri. "Metal-free methodology for the preparation of sterically hindered alkynoylphenols and its application to the synthesis of flavones and aurones". supporting information. p. 4392 - 4396. Retrieved 2015/06/22.
• 2、 Yoshida, Masahito,Saito, Koya,Fujino, Yuta,Doi, Takayuki. "A concise synthesis of 3-aroylflavones via Lewis base 9-azajulolidine- catalyzed tandem acyl transfer-cyclization". supporting information. p. 11796 - 11798,3. Retrieved 2020/10/15.