5,8-dihydroxy-4,4-dimethylnaphthalen-1(4H)-one

Base Information

Chemical Name:5,8-dihydroxy-4,4-dimethylnaphthalen-1(4H)-one
CAS No.:68085-25-6
Molecular Formula:C₁₂H₁₂O₃
Molecular Weight:204.225
Hs Code.:
ChEMBL ID:CHEMBL239687
DSSTox Substance ID:DTXSID30553130
Nikkaji Number:J1.007.979I
Wikidata:Q82433644

Synonyms:68085-25-6;5,8-dihydroxy-4,4-dimethylnaphthalen-1(4H)-one;CHEMBL239687;DTXSID30553130

Suppliers and Price of 5,8-dihydroxy-4,4-dimethylnaphthalen-1(4H)-one

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
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price

Total 1 raw suppliers

Chemical Property of 5,8-dihydroxy-4,4-dimethylnaphthalen-1(4H)-one

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:204.078644241
Heavy Atom Count:15
Complexity:306

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C=CC(=O)C2=C(C=CC(=C21)O)O)C

Technology Process of 5,8-dihydroxy-4,4-dimethylnaphthalen-1(4H)-one

There total 2 articles about 5,8-dihydroxy-4,4-dimethylnaphthalen-1(4H)-one 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: 70.0%

: (1R,2S)-1-(p-tolylsulfinyl)-3,5-heptadien-2-ol

: 82208-38-6
8,8-dimethylnaphthalene-1,4,5(8H)-trione

: 68085-25-6
4,4-dimethyl-5,8-dihydroxynaphthalene-1(2H)-one

: 1642136-86-4
(5S,8R)-9,10-dihydroxy-8-{(1S)-1-hydroxy-2-[(4-methylphenyl)-R-sulfinyl]ethyl}-4,4,5-trimethyl-5,8-dihydro-1(4H)-anthracenone

: (5R,8S)-9,10-dihydroxy-5-{(1R)-1-hydroxy-3-[(4-methylphenyl)-R-sulfinyl] ethyl}-4,4,8-trimethyl-8,5-dihydro-1(4H)-anthracenone

Guidance literature:: In benzene; at 20 ℃; for 168h; Darkness;
DOI:10.1007/s13738-013-0370-x

Reference yield: 65.0%

: (1R,2R)-1-(p-tolylsulfinyl)-3,5-heptadien-2-ol

: 82208-38-6
8,8-dimethylnaphthalene-1,4,5(8H)-trione

: 68085-25-6
4,4-dimethyl-5,8-dihydroxynaphthalene-1(2H)-one

: 1642136-87-5
9,10-dihydroxy-8-{(1S)-1-hydroxy-2-[(4-methylphenyl)-R-sulfinyl]ethyl}-4,4,5-trimethyl-5,8-dihydro-1(4H)-anthracenone

: 1642136-89-7
9,10-dihydroxy-5-{(1R)-1-hydroxy-3-[(4-methylphenyl)-R-sulfinyl]ethyl}-4,4,8-trimethyl-8,5-dihydro-1(4H)-anthracenone

Guidance literature:: In ethanol; at 20 ℃; for 168h; Darkness;
DOI:10.1007/s13738-013-0370-x

Reference yield:

: 68085-25-6
4,4-dimethyl-5,8-dihydroxynaphthalene-1(2H)-one

: 5,5-dimethyl-6-methoxy-4,5-dihydro-3H-naphth<1,8-cd>isoxazole

Guidance literature:: Multi-step reaction with 3 steps

1: 96 percent / H₂ / 10percent Pd/C / propan-2-ol / 0.5 h / 1034.3 Torr / Ambient temperature

2: 97 percent / potassium carbonate / acetone; benzene / 2 h / Heating

3: 45 percent / sodium azide, conc. H₂SO₄ / CHCl₃ / 1.) 5 to 10 deg C, 1 h, 2.) reflux, 1.5 h

With sodium azide; sulfuric acid; hydrogen; potassium carbonate; palladium on activated charcoal; In chloroform; isopropyl alcohol; acetone; benzene;
DOI:10.1002/jhet.5570300135