Isobutyrylshikonin

Base Information

Chemical Name:Isobutyrylshikonin
CAS No.:52438-12-7
Molecular Formula:C20H22O6
Molecular Weight:358.39
Hs Code.:
European Community (EC) Number:932-567-3
DSSTox Substance ID:DTXSID901316067
Nikkaji Number:J156.604K
Wikidata:Q27155026
Metabolomics Workbench ID:143557
Mol file:52438-12-7.mol

Synonyms:isobutyrylshikonin

Suppliers and Price of Isobutyrylshikonin

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

Arctom
Isobutylshikonin ≥98%
10mg
$ 268.00

American Custom Chemicals Corporation
ISOBUTYRYLSHIKONIN 95.00%
5MG
$ 498.95

Total 25 raw suppliers

Chemical Property of Isobutyrylshikonin

Chemical Property:

Melting Point:88 °C
Boiling Point:561.9±50.0 °C(Predicted)
PKA:7.05±0.20(Predicted)
PSA：100.90000
Density:1.269±0.06 g/cm3(Predicted)
LogP:3.32730
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:358.14163842
Heavy Atom Count:26
Complexity:641

Purity/Quality:

99%, ^*data from raw suppliers

Isobutylshikonin ≥98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
Isomeric SMILES:CC(C)C(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O

Technology Process of Isobutyrylshikonin

There total 3 articles about Isobutyrylshikonin 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: 14.0%

: 517-89-5
shikonin

: 79-31-2
isobutyric Acid

: 52438-12-7,87562-78-5
isobutyrylshikonin

Guidance literature:: shikonin; With dicyclohexyl-carbodiimide; In dichloromethane; at 0 ℃; for 0.25h; Inert atmosphere;

With dmap; In dichloromethane; at 0 ℃; for 0.25h; Inert atmosphere;

isobutyric Acid; In dichloromethane; at 0 - 20 ℃; for 22h; Inert atmosphere;
DOI:10.3390/ijms22052774