2,3-Dimethoxyxanthen-9-one

Base Information

• Chemical Name: 2,3-Dimethoxyxanthen-9-one
• CAS No.: 42833-49-8
• Molecular Formula: C₁₅H₁₂O₄
• Molecular Weight: 256.258
• Hs Code.: 2932999099
• NSC Number: 77511
• DSSTox Substance ID: DTXSID80291717
• Nikkaji Number: J540.490H
• Wikidata: Q82029758
• Metabolomics Workbench ID: 123478
• ChEMBL ID: CHEMBL1434162
• Mol file: 42833-49-8.mol

Synonyms:2,3-dimethoxyxanthen-9-one;42833-49-8;MLS001143193;CHEMBL1434162;KUC102592N;2,3-Dimethoxyxanthone;6,7-Dimethoxyxanthone;NSC77511;SCHEMBL7331674;DTXSID80291717;2,3-dimethoxy-9H-xanthen-9-one;HMS2269C20;BDBM50549275;NSC-77511;SMR000631620

Chemical Property of 2,3-Dimethoxyxanthen-9-one

Chemical Property:

• Vapor Pressure: 2.25E-07mmHg at 25°C
• Melting Point: 164.5 °C
• Boiling Point: 423.3°Cat760mmHg
• Flash Point: 190.2°C
• PSA: 48.67000
• Density: 1.27g/cm³
• LogP: 2.96340
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 343

Purity/Quality:

Analysis control,98.5% ^*data from raw suppliers

2,3-DIMETHOXYXANTHEN-9-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3O2)OC

Technology Process of 2,3-Dimethoxyxanthen-9-one

There total 23 articles about 2,3-Dimethoxyxanthen-9-one 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: 92.0%

2-(3',4'-dimethoxyphenoxy)benzoic acid (101094-13-7) → 2,3-dimethoxy-9H-xanthen-9-one (42833-49-8)

Guidance literature:

DOI:10.1016/S0968-0896(02)00379-6

Reference yield: 91.0%

(2-hydroxyphenyl)(2,4,5-trimethoxyphenyl)methanone → 2,3-dimethoxy-9H-xanthen-9-one (42833-49-8)

Guidance literature:

With ammonium cerium (IV) nitrate; In chloroform; water; acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1021/jo101873v

Reference yield: 80.0%

1,2,4-trimethoxy-benzene (135-77-3) + 2-Fluorobenzoyl chloride (393-52-2) → 2,3-dimethoxy-9H-xanthen-9-one (42833-49-8)

Guidance literature:

1,2,4-trimethoxy-benzene; 2-Fluorobenzoyl chloride; With aluminum (III) chloride; In 1,2-dichloro-ethane; at 0 - 20 ℃; Inert atmosphere; Reflux;

With sodium ethanolate; In ethanol; for 3h; Reflux; Inert atmosphere;

DOI:10.1002/anie.200906064

upstream raw materials:

oxalyl dichloride

1,2-dimethoxy-4-phenoxybenzene

4,5-dimethoxy-2-phenoxy-benzoic acid methyl ester

2-(3',4'-dimethoxyphenoxy)benzoic acid