Isoplumbagin

Base Information

Chemical Name:Isoplumbagin
CAS No.:14777-17-4
Molecular Formula:(C3H4 O2)n C18 H36 O2 . Na
Molecular Weight:188.183
Hs Code.:
NSC Number:654206
UNII:SW8KH5YY53
DSSTox Substance ID:DTXSID701317990
Nikkaji Number:J403.487B
Wikidata:Q105379608
Metabolomics Workbench ID:46912
ChEMBL ID:CHEMBL1988478

Synonyms:Isoplumbagin;14777-17-4;8-hydroxy-2-methylnaphthalene-1,4-dione;1,4-Naphthalenedione, 8-hydroxy-2-methyl-;SW8KH5YY53;2-Methyl-8-hydroxy-1,4-naphthoquinone;UNII-SW8KH5YY53;8-Hydroxy-2-methyl-1,4-naphthalenedione;2-Methyl-8-oxidanyl-naphthalene-1,4-dione;8-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione;Naphthsaritone;5-hydroxy-3-methyl-1,4-naphthoquinone;NSC654206;SCHEMBL4304001;CHEMBL1988478;CHEBI:173524;DTXSID701317990;AKOS006277326;NSC-654206;NCI60_018820;CS-0530608;8-Hydroxy-2-methyl-1,4-naphthalenedione, 9CI;EN300-4274971

Suppliers and Price of Isoplumbagin

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 Isoplumbagin

Chemical Property:

Boiling Point:383.9±42.0 °C(Predicted)
PSA：54.37000
Density:1.354±0.06 g/cm3(Predicted)
LogP:1.71750
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:188.047344113
Heavy Atom Count:14
Complexity:317

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)C2=C(C1=O)C(=CC=C2)O

Technology Process of Isoplumbagin

There total 2 articles about Isoplumbagin 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:

: 496-64-0
3-hydroxy-2-pyrone

: 553-97-9
2-Methyl-1,4-benzoquinone

: 481-42-5
5-hydroxy-2-methyl-1,4-naphthoquinone

: 14777-17-4
isoplumbagin

Guidance literature:: With triethylamine; In chloroform; at 20 ℃; for 0.5h; Title compound not separated from byproducts;
DOI:10.1055/s-2006-926417

Reference yield:

: 481-39-0
5-hydroxynaphtho-1,4-quinone

: 64-19-7,77671-22-8
acetic acid

: 481-42-5
5-hydroxy-2-methyl-1,4-naphthoquinone

: 14777-17-4
isoplumbagin

: 80596-51-6
2,3-dimethyl-5-hydroxy-1,4-naphthoquinone

Guidance literature:: With ammonium peroxydisulfate; silver nitrate; Multistep reaction; 1.) Acetonitril, 80 deg C, 2.) H₂O, Rueckfluss, 2 h;
DOI:10.1002/ardp.19843170316