7-Methoxy-4-chromanone

Base Information

• Chemical Name: 7-Methoxy-4-chromanone
• CAS No.: 42327-52-6
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2932990090
• European Community (EC) Number: 839-776-8
• DSSTox Substance ID: DTXSID10402733
• Nikkaji Number: J725.097E
• Wikidata: Q82206204
• Metabolomics Workbench ID: 73946
• Mol file: 42327-52-6.mol

Synonyms:7-Methoxy-4-chromanone;42327-52-6;7-methoxychroman-4-one;7-methoxy-2,3-dihydrochromen-4-one;7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one;7-METHOXY-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE;4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-7-METHOXY-;7-methoxy-2,3-dihydro-4H-chromen-4-one;SCHEMBL67621;ghl.PD_Mitscher_leg0.304;DTXSID10402733;DISYDHABSCTQFK-UHFFFAOYSA-N;AMY32210;MFCD00598405;AKOS001579522;CS-W006964;DS-2182;(2-BROMOETHYL)TRIMETHYLAMMONIUMBROMIDE;EU-0000937;FT-0654654;EN300-96973;2,3-dihydro-7-methoxy-4-oxo-4H-1-benzopyran;4H-1-Benzopyran-4-one,2,3-dihydro-7-methoxy;7-Methoxy-2,3-dihydro-4H-1-benzopyran-4-one;Y10482;A825854;SR-01000395294;SR-01000395294-1

Chemical Property of 7-Methoxy-4-chromanone

Chemical Property:

• Vapor Pressure: 0.00016mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 331 °C at 760 mmHg
• Flash Point: 145.1 °C
• PSA: 35.53000
• Density: 1.205 g/cm³
• LogP: 1.66040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

7-Methoxychroman-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)CCO2

Technology Process of 7-Methoxy-4-chromanone

There total 2 articles about 7-Methoxy-4-chromanone 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: 25.0%

4-((3-methoxyphenoxy)methyl)-1-tosyl-1H-1,2,3-triazole → O-methylresorcine (150-19-6) + N-(7-methoxychroman-4-ylidene)-4-methylbenzenesulfonamide + 7-methoxy-chroman-4-one (42327-52-6)

Guidance literature:

In toluene; for 21h; Reflux; Inert atmosphere; High pressure;

DOI:10.1002/asia.201501239

Reference yield:

m-methoxyphenyl 2-propynyl ether (41580-72-7) → O-methylresorcine (150-19-6) + 7-methoxy-chroman-4-one (42327-52-6)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(I) thiophene-2-carboxylate / toluene / 2 h / 20 °C / Inert atmosphere

2: toluene / 21 h / Reflux; Inert atmosphere; High pressure

With copper(I) thiophene-2-carboxylate; In toluene;

DOI:10.1002/asia.201501239

Reference yield: 90.0%

vanillin (121-33-5,8014-42-4) + 7-methoxy-chroman-4-one (42327-52-6) → C18H16O5 (1031206-42-4)

Guidance literature:

In methanol; water; for 17h; Heating / reflux;

upstream raw materials:

m-methoxyphenyl 2-propynyl ether

Downstream raw materials:

7-methoxy-3-(p-nitrobenzylidene)-4-chromanone

7-hydroxy-2,3-dihydro-4H-chromen-4-one

(3E)-2,3-dihydro-7-methoxy-3-(phenylmethylene)-4H-1-benzopyran-4-one

7-methoxy-3-(4'-hydroxybenzylidene)chroman-4-one

Refernces