Columbianetin

Base Information

Chemical Name:Columbianetin
CAS No.:3804-70-4
Molecular Formula:C₁₄H₁₄O₄
Molecular Weight:246.263
Hs Code.:2932999099
DSSTox Substance ID:DTXSID401316498
Nikkaji Number:J21.194J
Wikidata:Q27225745
Metabolomics Workbench ID:66984
ChEMBL ID:CHEMBL201152
Mol file:3804-70-4.mol

Synonyms:columbianetin;columbianetin, (+-)-isomer;columbianetin, (S)-isomer

Suppliers and Price of Columbianetin

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

Usbiological
columbianetin
20mg
$ 490.00

TRC
(+)-Columbianetin
5mg
$ 195.00

JR MediChem
columbianetin(NewProduct) 98%
20mg
$ 248.00

DC Chemicals
Columbianetin >98%,StandardReferencesGrade
10 mg
$ 800.00

ChemScene
(+)-Columbianetin
20mg
$ 514.00

ChemScene
(+)-Columbianetin
5mg
$ 178.00

ChemScene
(+)-Columbianetin
10mg
$ 303.00

Biosynth Carbosynth
Columbianetin
5 mg
$ 325.00

Biosynth Carbosynth
Columbianetin
2 mg
$ 210.00

Biorbyt Ltd
columbianetin
100 mg
$ 1286.90

Total 38 raw suppliers

Chemical Property of Columbianetin

Chemical Property:

Vapor Pressure:1.25E-08mmHg at 25°C
Melting Point:143-145 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling Point:443°Cat760mmHg
PKA:14.34±0.29(Predicted)
Flash Point:171.9°C
PSA：59.67000
Density:1.334g/cm³
LogP:1.86740
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:246.08920892
Heavy Atom Count:18
Complexity:387

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

columbianetin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O
Isomeric SMILES:CC(C)([C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O
Uses Columbianetin inhibited expression of COX-2. Columbianetin inhibited expression of COX-2. It may be helpful in regulating mast cell-mediated allergic inflammatory responses. An anti-inflammatory agent.

Technology Process of Columbianetin

There total 22 articles about Columbianetin 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: 88.0%

: 1161258-85-0
7-(tert-butyldimethylsilyloxy)-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one

: 3804-70-4
columbianetin

Guidance literature:: 7-(tert-butyldimethylsilyloxy)-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; With (5S,8R,9R)-2,2-dimethyl-10-oxo-1,3,6-trioxaspiro[4.5]decane-8,9-diyl diacetate; oxone; tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In Dimethoxymethane; acetonitrile; at 0 ℃; for 23h; pH=6; aq. buffer;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 - 20 ℃; for 4h; optical yield given as %ee; enantioselective reaction;
DOI:10.1002/adsc.201000505

Reference yield: 85.0%

: 484-14-0
osthenol

: 1147-29-1,3804-70-4,26079-34-5,52842-47-4
columbianetin

Guidance literature:: With potassium carbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 8h; Inert atmosphere;
DOI:10.1016/j.bmcl.2020.127633