6-Methylflavone

Base Information

• Chemical Name: 6-Methylflavone
• CAS No.: 29976-75-8
• Molecular Formula: C16H12 O2
• Molecular Weight: 236.27
• Hs Code.: 2914399090
• UNII: K3JCS9D3KJ
• DSSTox Substance ID: DTXSID40351008
• Nikkaji Number: J435.646B
• Wikidata: Q63398074
• Metabolomics Workbench ID: 74666
• ChEMBL ID: CHEMBL134291
• Mol file: 29976-75-8.mol

Synonyms:6-methylflavone

Chemical Property of 6-Methylflavone

Chemical Property:

• Vapor Pressure: 1.83E-06mmHg at 25°C
• Melting Point: 119-122 °C (dec.)(lit.)
• Refractive Index: 1.623
• Boiling Point: 395.5°Cat760mmHg
• Flash Point: 183.8°C
• PSA: 30.21000
• Density: 1.208g/cm³
• LogP: 3.76840
• Solubility.: soluble in Methanol
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.083729621
• Heavy Atom Count: 18
• Complexity: 352

Purity/Quality:

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

6-Methylflavone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3
• Uses: 6-Methylflavone, an activator of α1β2γ2L and α1β2 GABAA receptors.

Technology Process of 6-Methylflavone

There total 81 articles about 6-Methylflavone 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%

6-methylflavanone (3489-11-0,93602-27-8,105166-60-7) → 6-methylflavone (29976-75-8)

Guidance literature:

With thallium(III) acetate; In acetic acid; for 3h; Heating;

DOI:10.1016/S0040-4039(00)88832-2

Reference yield: 95.0%

1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione (29976-82-7) → 6-methylflavone (29976-75-8)

Guidance literature:

With gallium(III) triflate; In nitromethane; at 80 ℃; for 2h;

DOI:10.3184/030823409X396409

Reference yield: 95.0%

carbon monoxide (201230-82-2) + 2-iodo-4-methylphenol (16188-57-1) + phenylacetylene (536-74-3) → 6-methylflavone (29976-75-8)

Guidance literature:

With piperazine; 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; In tetrahydrofuran; at 50 ℃; for 24h; under 2585.81 Torr; regioselective reaction;

DOI:10.1016/j.mcat.2018.03.021

upstream raw materials:

p-cresol

ethyl 3-oxo-3-phenylpropionate

5-methyl-2-hydroxyacetophenone

benzoyl chloride

Downstream raw materials:

3-chloro-6-methylflavone

3-hydroxy-6-methylflavone

3-bromo-6-methylflavone

6-methyl-8-nitro-2-phenyl-chromen-4-one

Refernces

• 1、 Sun, Dong-Wei,Zhou, Yong-Yan,Jiang, Min,Nian, Tang,Liu, Jin-Tao. "CF3SOCl-promoted intramolecular cyclization of β-diketones: An efficient synthesis of flavones". . . Retrieved 2021/05/31.
• 2、 Agisho, Habtamu Abebe,Hairat, Suboot,Zaki, Mehvash. "An efficient TBHP/TBAI-mediated protocol for the synthesis of 4H-chromen-4-ones from chroman-4-ones via oxidative C–C bond formation". . p. 599 - 603. Retrieved 2020/05/04.