1,5,6-Trihydroxyxanthone

Base Information

Chemical Name:1,5,6-Trihydroxyxanthone
CAS No.:5042-03-5
Molecular Formula:C13H8O5
Molecular Weight:244.204
Hs Code.:2932999099
ChEMBL ID:CHEMBL3093483
DSSTox Substance ID:DTXSID90415169
Metabolomics Workbench ID:70372
Nikkaji Number:J167.446C
Wikidata:Q27107332
Mol file:5042-03-5.mol

Synonyms:1,5,6-Trihydroxyxanthone;Mesuaxanthone B;MESUAXANTHONE-B;5042-03-5;1,5,6-trihydroxyxanthen-9-one;CHEBI:6786;C10082;AC1NQYTJ;SureCN149545;SCHEMBL149545;CHEMBL3093483;DTXSID90415169;1,5,6-trihydroxy-9H-xanthen-9-one;AKOS022662258;Q27107332

Suppliers and Price of 1,5,6-Trihydroxyxanthone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Biosynth Carbosynth
1,5,6-Trihydroxyxanthone
5 mg
$ 100.00

AK Scientific
MesuaxanthoneB
5mg
$ 185.00

Total 8 raw suppliers

Chemical Property of 1,5,6-Trihydroxyxanthone

Chemical Property:

Vapor Pressure:8.25E-10mmHg at 25°C
Boiling Point:479.3°Cat760mmHg
Flash Point:192.2°C
PSA：90.90000
Density:1.64g/cm³
LogP:2.06300
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:244.03717335
Heavy Atom Count:18
Complexity:344

Purity/Quality:

≥98% ^*data from raw suppliers

1,5,6-Trihydroxyxanthone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3O)O)O

Technology Process of 1,5,6-Trihydroxyxanthone

There total 6 articles about 1,5,6-Trihydroxyxanthone 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%

: 13739-15-6
1,5,6-trimethoxy-9H-xanthen-9-one

: 5042-03-5
mesuxanthone B

Guidance literature:: With hydrogen bromide; acetic acid; at 120 ℃;
DOI:10.1039/c3ob40395e

Reference yield: 41.0%

: 2150-45-0
methyl 2,6-dihydroxybenzoate

: 87-66-1
2-hydroxyresorcinol

: 5042-03-5
mesuxanthone B

Guidance literature:: In diphenylether; for 1.5h;

Reference yield:

: 1466-76-8
2-6-dimethoxybenzoic acid

: 5042-03-5
mesuxanthone B

Guidance literature:: Multi-step reaction with 3 steps

1.1: oxalyl dichloride / dichloromethane / 24 h / 20 °C

2.1: aluminum (III) chloride / diethyl ether / 12 h / 0 - 20 °C / Inert atmosphere

2.3: 36 h / 110 °C

3.1: water; hydrogen bromide; acetic acid / 12 h / 120 °C / Inert atmosphere

With aluminum (III) chloride; oxalyl dichloride; water; hydrogen bromide; acetic acid; In diethyl ether; dichloromethane; 2.1: Friedel Crafts acylation;
DOI:10.1016/j.ejmech.2011.01.051