Violaceol i

Base Information

Chemical Name:Violaceol i
CAS No.:68027-81-6
Molecular Formula:C14H14O5
Molecular Weight:262.262
Hs Code.:
NSC Number:330927
UNII:6PZ85EB2LJ
DSSTox Substance ID:DTXSID10218215
Nikkaji Number:J19.839K
Wikidata:Q27133271
Metabolomics Workbench ID:63372
ChEMBL ID:CHEMBL2000711

Synonyms:violaceol i;68027-81-6;ETHERICIN A;aspermutarubrol;Aspermutarubol;violaceol-I;violacerol-I;3-(2,3-dihydroxy-5-methylphenoxy)-5-methylbenzene-1,2-diol;6PZ85EB2LJ;CHEBI:64415;NSC-330927;3,3'-Oxybis(5-methyl-1,2-benzenediol);3,3'-oxybis(5-methylbenzene-1,2-diol);1,2-Benzenediol, 3,3'-oxybis(5-methyl-;3,3'-Oxybis[5-methyl-1,2-benzenediol];NSC330927;UNII-6PZ85EB2LJ;MEGxm0_000129;CHEMBL2000711;ACon0_000595;ACon1_000731;DTXSID10218215;AKOS040734536;NSC 330927;NCGC00169413-01;NCI60_002901;O(c1cc(C)cc(O)c1O)c2cc(C)cc(O)c2O;Q27133271

Suppliers and Price of Violaceol i

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 8 raw suppliers

Chemical Property of Violaceol i

Chemical Property:

Boiling Point:414.8°Cat760mmHg
Flash Point:204.7°C
PSA：90.15000
Density:1.407g/cm³
LogP:2.91810
XLogP3:2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:262.08412354
Heavy Atom Count:19
Complexity:270

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2O)O)C)O)O

Technology Process of Violaceol i

There total 9 articles about Violaceol i 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:

: 68278-87-5
cordyol D

: 68027-81-6
aspermutarubrol

Guidance literature:: With boron tribromide; In dichloromethane; at 20 ℃; for 1.5h;
DOI:10.1248/cpb.51.794

Reference yield:

: 7632-62-4
3-benzyloxy-4,5-dimethoxybenzyl alcohol

: 68027-81-6
aspermutarubrol

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / H₂ / Pd/C / methanol / 20 °C / atmospheric pressure

2: 17 percent / K₂CO₃; CuO; pyridine / 6 h / Heating

3: 36 percent / H₂ / Pd/C / ethyl acetate / 20 °C / atmospheric pressure

4: 11 mg / BBr₃ / CH₂Cl₂ / 1.5 h / 20 °C

With pyridine; hydrogen; boron tribromide; potassium carbonate; copper(II) oxide; palladium on activated charcoal; In methanol; dichloromethane; ethyl acetate; 2: Ullman reaction;
DOI:10.1248/cpb.51.794

Reference yield:

: 52783-74-1
(3-bromo-4,5-dimethoxyphenyl)methanol

: 68027-81-6
aspermutarubrol

Guidance literature:: Multi-step reaction with 4 steps

1: 59 percent / p-toluenesulfonic acid monohydrate / CH₂Cl₂ / 2 h / 20 °C

2: 17 percent / K₂CO₃; CuO; pyridine / 6 h / Heating

3: 36 percent / H₂ / Pd/C / ethyl acetate / 20 °C / atmospheric pressure

4: 11 mg / BBr₃ / CH₂Cl₂ / 1.5 h / 20 °C

With pyridine; hydrogen; boron tribromide; potassium carbonate; toluene-4-sulfonic acid; copper(II) oxide; palladium on activated charcoal; In dichloromethane; ethyl acetate; 2: Ullman reaction;
DOI:10.1248/cpb.51.794