Hydroxytanshinone

Base Information

• Chemical Name: Hydroxytanshinone
• CAS No.: 18887-18-8
• Molecular Formula: C19H18O4
• Molecular Weight: 310.3
• DSSTox Substance ID: DTXSID201314884
• Nikkaji Number: J148.717E
• Wikidata: Q105276716
• Metabolomics Workbench ID: 47429
• Mol file: 18887-18-8.mol

Synonyms:Hydroxytanshinone IIA;Hydroxytanshinone;18887-18-8;9-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione;CHEBI:174236;DTXSID201314884;HY-N7177;AKOS040761854;CS-0103801;1-Hydroxy-14,16-epoxy-20-nor-5(10),6,8,13,15-abietapentaene-11,12-dione;9-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzouran-10,11-dione;3-hydroxy-6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,7,9,11(15),13-pentaene-16,17-dione

Chemical Property of Hydroxytanshinone

Chemical Property:

• PSA: 67.51000
• LogP: 3.73880
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 310.12050905
• Heavy Atom Count: 23
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

HydroxytanshinoneIIA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C(CCC4(C)C)O

Technology Process of Hydroxytanshinone

There total 1 articles about Hydroxytanshinone 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:

tanshinone-IIA (568-72-9) → 1-hydroxytanshinone IIA (18887-18-8)

Guidance literature:

With N-Bromosuccinimide; potassium carbonate; In tetrahydrofuran; tetrachloromethane; water; at 20 ℃; for 4h; Reflux; Inert atmosphere;

Reference yield: 85.0%

1-hydroxytanshinone IIA (18887-18-8) → 1,6,6-trimethyl-6,7-dihydrophenanthro[1,2-b]furan-10,11-dione (119963-50-7)

Guidance literature:

With pyridinium p-toluenesulfonate; In toluene; at 110 ℃; for 12h;

DOI:10.3390/molecules24061059

upstream raw materials:

tanshinone-IIA

Downstream raw materials:

1,6,6-trimethyl-6,7-dihydrophenanthro[1,2-b]furan-10,11-dione

Refernces