Thelepin

Base Information

Chemical Name:Thelepin
CAS No.:52498-93-8
Molecular Formula:C₁₄H₉Br₃O₃
Molecular Weight:464.936
Hs Code.:
DSSTox Substance ID:DTXSID00348333
Nikkaji Number:J133.591J
Wikidata:Q27151426
Metabolomics Workbench ID:167048
Mol file:52498-93-8.mol

Synonyms:Thelepin;52498-93-8;2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one;Spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one, 3',5',7-tribromo-5-(hydroxymethyl)-;CHEBI:80926;DTXSID00348333;C17100;Q27151426

Suppliers and Price of Thelepin

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 1 raw suppliers

Chemical Property of Thelepin

Chemical Property:

PSA：46.53000
LogP:3.75540
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:463.80813
Heavy Atom Count:20
Complexity:478

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(C(=CC(=C2)CO)Br)OC13C=C(C(=O)C(=C3)Br)Br

Technology Process of Thelepin

There total 1 articles about Thelepin 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: 2.0%

: 52193-43-8
thelephenol

: 52498-93-8
thelepin

: 92731-82-3
C₁₄H₇Br₃O₃

Guidance literature:: With sodium hypochlorite; Celite; In ethyl acetate; for 0.333333h; Ambient temperature; var.: add of t-butylammonium hydrogensulfate without celite, pH = 8;
DOI:10.1246/cl.1984.1415