Neodiospyrin

Base Information

Chemical Name:Neodiospyrin
CAS No.:33916-25-5
Molecular Formula:C22H14O6
Molecular Weight:374.34296
Hs Code.:2914400090
ChEMBL ID:CHEMBL241392
DSSTox Substance ID:DTXSID60581789
Metabolomics Workbench ID:43889
Nikkaji Number:J19.980J
Wikidata:Q82473045
Mol file:33916-25-5.mol

Synonyms:Neodiospyrin;33916-25-5;CHEMBL241392;BDBM93039;DTXSID60581789;CHEBI:172603;4,8'-Dihydroxy-2,6'-dimethyl[1,2'-binaphthalene]-1',4',5,8-tetrone;4,8'-Dihydroxy-2,6'-dimethyl[1,2'-binaphthalene]-1',4',5,8-tetrone, 9CI;8-hydroxy-2-(4-hydroxy-2-methyl-5,8-dioxo-1-naphthyl)-6-methyl-naphthalene-1,4-dione;8-hydroxy-5-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione;8-hydroxy-5-(8-hydroxy-6-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-6-methyl-1,4-dihydronaphthalene-1,4-dione

Suppliers and Price of Neodiospyrin

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 23 raw suppliers

Chemical Property of Neodiospyrin

Chemical Property:

PSA：108.74000
LogP:3.11240
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:374.07903816
Heavy Atom Count:28
Complexity:808

Purity/Quality:: 99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O

Technology Process of Neodiospyrin

There total 3 articles about Neodiospyrin 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: 60.0%

: 14787-38-3
7-methyljuglone

: 33916-25-5
neodiospyrin

Guidance literature:: With hydrogenchloride; tin(ll) chloride; In tetrahydrofuran; at 60 ℃; for 3h;

7-methyljuglone; With potassium hydroxide; In methanol; phosphate buffer;

Reference yield:

: 108-39-4
3-methyl-phenol

: 33916-25-5
neodiospyrin

Guidance literature:: Multi-step reaction with 2 steps

1.1: 16 percent / AlCl₃; NaCl / 0.03 h / 180 °C

2.1: SnCl₂; aq. HCl / tetrahydrofuran / 3 h / 60 °C

2.2: 60 percent / aq. KOH / aq. phosphate buffer; methanol

With hydrogenchloride; aluminium trichloride; sodium chloride; tin(ll) chloride; In tetrahydrofuran; 1.1: Friedel-Crafts acylation;