Columbianadin

Base Information

Chemical Name:Columbianadin
CAS No.:5058-13-9
Molecular Formula:C₁₉H₂₀O₅
Molecular Weight:328.365
Hs Code.:29329990
DSSTox Substance ID:DTXSID401317565
Nikkaji Number:J13.416C
Metabolomics Workbench ID:123308
ChEMBL ID:CHEMBL1324067
Mol file:5058-13-9.mol

Synonyms:columbianadin

Suppliers and Price of Columbianadin

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
Columbianadin
20mg
$ 575.00

TRC
Columbianedin
5mg
$ 165.00

TRC
Columbianedin
50mg
$ 1320.00

TCI Chemical
Columbianadin >98.0%(HPLC)
100mg
$ 1127.00

TCI Chemical
Columbianadin >98.0%(HPLC)
25mg
$ 376.00

JR MediChem
Columbianadin 98%
20mg
$ 600.00

DC Chemicals
Columbianadin >98%,StandardReferencesGrade
20 mg
$ 280.00

CSNpharm
Columbianadin
50mg
$ 326.00

CSNpharm
Columbianadin
25mg
$ 194.00

Crysdot
Columbianadin 97%
25mg
$ 198.00

Total 59 raw suppliers

Chemical Property of Columbianadin

Chemical Property:

Vapor Pressure:1.84E-09mmHg at 25°C
Melting Point:166oC
Refractive Index:1.569
Boiling Point:482.3 °C at 760 mmHg
Flash Point:212.7 °C
PSA：65.74000
Density:1.232 g/cm³
LogP:3.38450
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:328.13107373
Heavy Atom Count:24
Complexity:589

Purity/Quality:

≥98% ^*data from raw suppliers

Columbianadin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Isomeric SMILES:C/C=C(/C)\C(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Uses Columbianedin, a coumarin compounds, is one of the main bioactive constituents of Angelica pubescens Maxim f. biserrata Shan et Yuan and is studied for its antiinflammatory and analgesic properties. Potential anti-tumor agent. Cytotoxic.

Technology Process of Columbianadin

There total 3 articles about Columbianadin 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: 64.0%

: 3804-70-4
columbianetin

: 94487-74-8
(Z)-2-methyl-2-butenoic anhydride

: 3173-03-3,5058-13-9,20414-80-6,21974-14-1,58001-84-6
Columbianadin

Guidance literature:: With caesium carbonate; In acetonitrile; at 20 ℃; for 1h;
DOI:10.1055/s-0032-1317415

Reference yield:

: 565-63-9
Angelic acid

: 3173-03-3,5058-13-9,20414-80-6,21974-14-1,58001-84-6
Columbianadin

Guidance literature:: Multi-step reaction with 2 steps

1: dicyclohexyl-carbodiimide / dichloromethane; 5,5-dimethyl-1,3-cyclohexadiene / 1 h / 20 °C

2: caesium carbonate / acetonitrile / 1 h / 20 °C

With caesium carbonate; dicyclohexyl-carbodiimide; In 5,5-dimethyl-1,3-cyclohexadiene; dichloromethane; acetonitrile;
DOI:10.1055/s-0032-1317415