Aurantiacin

Base Information

Chemical Name:Aurantiacin
CAS No.:548-32-3
Molecular Formula:C32H20O8
Molecular Weight:532.4964
Hs Code.:
NSC Number:93050
UNII:8TAT447CD8
DSSTox Substance ID:DTXSID00203276
Nikkaji Number:J11.564I
Wikidata:Q83076639
ChEMBL ID:CHEMBL1977783
Mol file:548-32-3.mol

Synonyms:AURANTIACIN;548-32-3;4-(Benzoyloxy)-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl benzoate;NSC93050;8TAT447CD8;NSC 93050;UNII-8TAT447CD8;NSC-93050;CHEMBL1977783;DTXSID00203276;NCI60_042072;[4-benzoyloxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl] benzoate;2,5-BIS(BENZOYLOXY)-3,6-BIS(4-HYDROXYPHENYL)-2,5-CYCLOHEXADIENE-1,4-DIONE;2,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-BIS(BENZOYLOXY)-3,6-BIS(4-HYDROXYPHENYL)-;P-BENZOQUINONE, 2,5-DIHYDROXY-3,6-BIS(P-HYDROXYPHENYL)-, 2,5-DIBENZOATE

Suppliers and Price of Aurantiacin

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

Total 3 raw suppliers

Chemical Property of Aurantiacin

Chemical Property:

Vapor Pressure:5.89E-24mmHg at 25°C
Melting Point:285-295 °C
Boiling Point:760.7°Cat760mmHg
PKA:9.27±0.30(Predicted)
Flash Point:252.6°C
PSA：127.20000
Density:1.48g/cm³
LogP:5.08600
XLogP3:5.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:532.11581759
Heavy Atom Count:40
Complexity:959

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)OC2=C(C(=O)C(=C(C2=O)C3=CC=C(C=C3)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O

Technology Process of Aurantiacin

There total 3 articles about Aurantiacin 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:

: 3',4,4'',6'-tetrahydroxy-2',5'-dibenzoyloxy[1,1':4',1'']-terphenyl

: 548-32-3
2,5-Dibenzoyl-3,6-di-(4-hydroxy-phenyl)-<1,4>benzochinon

Guidance literature:: With ammonium cerium(IV) nitrate; In acetonitrile; at 0 - 5 ℃; for 0.416667h;
DOI:10.1016/j.phytochem.2004.02.018

Reference yield:

: 1065-56-1
2,5-Dibenzoyloxy-3,6-di-(4-methoxymethoxy-phenyl)-<1,4>benzochinon

: 548-32-3
2,5-Dibenzoyl-3,6-di-(4-hydroxy-phenyl)-<1,4>benzochinon

Guidance literature:: With sulfuric acid; In acetic acid;

Reference yield:

: 519-67-5
2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione

: 98-88-4
benzoyl chloride

: 548-32-3
2,5-Dibenzoyl-3,6-di-(4-hydroxy-phenyl)-<1,4>benzochinon

: 121254-64-6
3-O-Benzoylatromentin

Guidance literature:: With sodium hydride; Yield given. Multistep reaction. Yields of byproduct given; 1.) reflux, THF, 2.) 24 h, 25 deg C, THF;