Xanthen-9-one, 1-hydroxy-3-methoxy-

Base Information

• Chemical Name: Xanthen-9-one, 1-hydroxy-3-methoxy-
• CAS No.: 18799-43-4
• Molecular Formula: C14H10 O4
• Molecular Weight: 242.231
• DSSTox Substance ID: DTXSID30172128
• Nikkaji Number: J819.376B
• Wikidata: Q83042271
• Pharos Ligand ID: 5BV6UU27YTXY
• ChEMBL ID: CHEMBL188014
• Mol file: 18799-43-4.mol

Synonyms:Xanthen-9-one, 1-hydroxy-3-methoxy-;1-Hydroxy-3-methoxyxanthone;CHEMBL188014;18799-43-4;1-hydroxy-3-methoxy-xanthen-9-one;1-hydroxy-3-methoxy-9H-xanthen-9-one;DTXSID30172128;BDBM50155443

Chemical Property of Xanthen-9-one, 1-hydroxy-3-methoxy-

Chemical Property:

• Vapor Pressure: 8.24E-09mmHg at 25°C
• Boiling Point: 452.6°Cat760mmHg
• Flash Point: 178.5°C
• Density: 1.375g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 242.05790880
• Heavy Atom Count: 18
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C2C(=C1)OC3=CC=CC=C3C2=O)O

Technology Process of Xanthen-9-one, 1-hydroxy-3-methoxy-

There total 17 articles about Xanthen-9-one, 1-hydroxy-3-methoxy- 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: 84.0%

1,3-dihydroxyxanthone (3875-68-1) + methyl iodide (74-88-4) → 1-hydroxy-3-methoxy-xanthen-9-one (18799-43-4)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃;

Reference yield: 79.0%

1,3-dihydroxyxanthone (3875-68-1) + dimethyl sulfate (77-78-1) → 1-hydroxy-3-methoxy-xanthen-9-one (18799-43-4)

Guidance literature:

With potassium carbonate; In chloroform; at 50 ℃; for 0.416667h;

DOI:10.3184/174751915X14373971129805

Reference yield: 53.0%

dimethylsulfone (67-71-0) + 1,3-dihydroxyxanthone (3875-68-1) → 1-hydroxy-3-methoxy-xanthen-9-one (18799-43-4)

Guidance literature:

With potassium carbonate; In acetone; at 100 ℃; for 24h;

DOI:10.1002/cmdc.201100102

upstream raw materials:

1,3-dihydroxyxanthone

dimethyl sulfate

3,5-dimethoxyphenol

salicylic acid

Downstream raw materials:

3-methoxy-1-(toluene-4-sulfonyloxy)-xanthen-9-one

Refernces

• 1、 Fujimoto, Yuuki,Furukawa, Chisato,Takahashi, Kanae,Mochizuki, Miho,Yanai, Hikaru,Matsumoto, Takashi. "An Efficient Two-Step Protocol for the Isoprenylation of Xanthone at the C2 Position Starting from 1-Fluoroxanthone Derivative". . p. 1423 - 1429. Retrieved 2020.
• 2、 Carter, Adam C.,King, Jarrod B.,Mattes, Allison O.,Cai, Shengxin,Singh, Narender,Cichewicz, Robert H.. "Natural-Product-Inspired Compounds as Countermeasures against the Liver Carcinogen Aflatoxin B1". . p. 1694 - 1703. Retrieved 2019/06/08.