2-(1,5-Dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

Base Information

Chemical Name:2-(1,5-Dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
CAS No.:76191-50-9
Molecular Formula:C19H14O7
Molecular Weight:354.316
Hs Code.:
DSSTox Substance ID:DTXSID901127763
Nikkaji Number:J137.488E
Wikidata:Q105205248,Q104967713
Metabolomics Workbench ID:100406
ChEMBL ID:CHEMBL1320897
Mol file:76191-50-9.mol

Synonyms:WS-5995 C;WS-5995C

Suppliers and Price of 2-(1,5-Dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-(1,5-Dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

Chemical Property:

PSA：121.13000
LogP:2.75570
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:354.07395278
Heavy Atom Count:26
Complexity:652

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)OC)C2=C(C3=C(C(=CC=C3)O)C(=O)C2=O)O)C(=O)O

Technology Process of 2-(1,5-Dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

There total 14 articles about 2-(1,5-Dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid 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: 95.0%

: 281190-86-1
1-hydroxy-10-methoxy-8-methyl-11,12-dihydro-6H-dibenzo[c,h]chromene-6,11,12-trione

: 76191-50-9
Antibiotic WS-5995 C

Guidance literature:: With potassium hydroxide;
DOI:10.1016/S0040-4039(00)00329-4

Reference yield:

: 125187-10-2
2-2'-carbobenzyloxy-6'-methoxy-4'-methylphenyl-3,5-dichloro-1,4-benzoquinone

: 76191-50-9
Antibiotic WS-5995 C

Guidance literature:: Multi-step reaction with 6 steps

1: 86 percent / ethyl acetate / 6 h / Ambient temperature

3: 1.) hydrogen, 2.) MnO₂ / 1.) Pd(OH)2 on carbon / 1.) ethyl acetate, 15 h, 50 psi, 2.) CH₂Cl₂, 30 min

4: 95 percent / aq. NaOH / 0.5 h / Ambient temperature

5: 92 percent / Et₃N / ethyl acetate / 2 h / Heating

6: 71 percent / aq. NaOH / 0.5 h / Heating

With manganese(IV) oxide; sodium hydroxide; hydrogen; triethylamine; palladium hydroxide - carbon; In ethyl acetate;

Reference yield:

: 125187-11-3
2-2'-carbobenzyloxy-6'-methoxy-4'-methylphenyl-3,4a-dichloro-5,8,8a-trihydro-5-trimethylsilyloxy-1,4-naphthoquinone

: 76191-50-9
Antibiotic WS-5995 C

Guidance literature:: Multi-step reaction with 5 steps

2: 1.) hydrogen, 2.) MnO₂ / 1.) Pd(OH)2 on carbon / 1.) ethyl acetate, 15 h, 50 psi, 2.) CH₂Cl₂, 30 min

3: 95 percent / aq. NaOH / 0.5 h / Ambient temperature

4: 92 percent / Et₃N / ethyl acetate / 2 h / Heating

5: 71 percent / aq. NaOH / 0.5 h / Heating

With manganese(IV) oxide; sodium hydroxide; hydrogen; triethylamine; palladium hydroxide - carbon; In ethyl acetate;