Methylchromone

Base Information

• Chemical Name: Methylchromone
• CAS No.: 85-90-5
• Molecular Formula: C10H8 O2
• Molecular Weight: 160.172
• European Community (EC) Number: 201-641-0
• NSC Number: 76095
• UNII: KJ0091KAAH
• DSSTox Substance ID: DTXSID4057845
• Nikkaji Number: J4.257I
• Wikidata: Q27282278
• NCI Thesaurus Code: C66121
• Metabolomics Workbench ID: 155768
• ChEMBL ID: CHEMBL2105215
• Mol file: 85-90-5.mol

Synonyms:3-methylchromone

Chemical Property of Methylchromone

Chemical Property:

• Vapor Pressure: 0.0228mmHg at 25°C
• Melting Point: 68°
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 249.5°C at 760 mmHg
• Flash Point: 108.6°C
• PSA: 30.21000
• Density: 1.185g/cm³
• LogP: 2.10140
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.052429494
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

3-Methylchromone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC1=COC2=CC=CC=C2C1=O

Technology Process of Methylchromone

There total 24 articles about Methylchromone 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: 95.0%

3-methyl-3-(phenylsulfonyl)chroman-4-one (139449-29-9) → 3-methylchromone (85-90-5)

Guidance literature:

With aluminium trichloride; In dichloromethane; Heating; 5-10 min;

DOI:10.1016/0040-4039(91)80576-R

Reference yield: 85.0%

o-(1,2-propanedienyloxy)benzaldehyde (153933-58-5) → 3-methylchromone (85-90-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,3-bis(mesityl)imidazolium chloride; In 1,4-dioxane; at 20 ℃; for 6h; Reagent/catalyst; Solvent;

DOI:10.1002/chem.201404516

Reference yield: 83.0%

1-(2-Hydroxy-phenyl)-propan-1-on (610-99-1) + orthoformic acid triethyl ester (122-51-0) → 3-methylchromone (85-90-5)

Guidance literature:

With perchloric acid; at 20 ℃; for 23h; Inert atmosphere;

DOI:10.1002/chem.201405852

upstream raw materials:

3-methyl-4-oxo-4H-chromene-2-carboxylic acid

1-(2-Hydroxy-phenyl)-propan-1-on

formic acid ethyl ester

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

Downstream raw materials:

3-(2-hydroxyphenyl)-4-methyl-1-thicarbamyl-5-thiosemicarbazide-2-pyrazoline

4-methyl-5-(o-hydroxyphenyl)-isoxazole

2-amino-3-methyl-4H-chromen-4-one

3-methyl-chroman-4-one

Refernces

• 1、 Elagamy, Amr,Pratap, Ramendra,Shah, Chandan,Shaw, Ranjay. "Iodine-Mediated Synthesis of 2-(Methylthio)-4 H-chromen-4-ones and Study of Their Halogenation Reactions". . p. 9478 - 9489. Retrieved 2021/07/28.
• 2、 Xavier, Tania,Condon, Sylvie,Pichon, Christophe,Le Gall, Erwan,Presset, Marc. "Synthesis of α,β-Disubstituted Acrylates via Galat Reaction". supporting information. p. 6135 - 6139. Retrieved 2019/08/28.