1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-

Base Information

• Chemical Name: 1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-
• CAS No.: 2066-93-5
• Deprecated CAS: 38821-95-3
• Molecular Formula: C10H6O5S
• Molecular Weight: 238.221
• European Community (EC) Number: 218-184-8
• UNII: OIL8X1R2KA
• DSSTox Substance ID: DTXSID7062162
• Nikkaji Number: J7.318K
• Wikipedia: Folin's_reagent
• Wikidata: Q27285675
• ChEMBL ID: CHEMBL1205174
• Mol file: 2066-93-5.mol

Synonyms:1,2-naphthoquinone-4-sulfonate;1,2-naphthoquinone-4-sulfonate, sodium salt

Chemical Property of 1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-

Chemical Property:

• PKA: -4.27±0.20(Predicted)
• PSA: 96.89000
• Density: 1.68 g/cm³
• LogP: 1.76150
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 237.99359446
• Heavy Atom Count: 16
• Complexity: 468

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones
• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=O)S(=O)(=O)O

Technology Process of 1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-

There total 11 articles about 1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo- 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: 83.0%

1-amino-2-naphthol-4-sulfonic acid (116-63-2) → 3,4-dioxo-3,4-dihydro-naphthalene-1-sulfonic acid (2066-93-5)

Guidance literature:

With recombinant CotA-laccase from Bacillus subtilis; In aq. phosphate buffer; at 37 ℃; pH=7; Kinetics; Enzymatic reaction;

DOI:10.1002/adsc.202000082

Reference yield:

1-Nitroso-2-naphthol (131-91-9) → 3,4-dioxo-3,4-dihydro-naphthalene-1-sulfonic acid (2066-93-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium disulfite / man saeuert bei 30-40grad mit Salzsaeure an

2: nitric acid

With sodium disulfite; nitric acid;

Reference yield:

3,4-dihydroxy-naphthalene-1-sulfonic acid (16223-99-7) → 3,4-dioxo-3,4-dihydro-naphthalene-1-sulfonic acid (2066-93-5)

Guidance literature:

With acetic acid; sodium nitrite;

upstream raw materials:

3,4-dihydroxy-naphthalene-1-sulfonic acid

1-hydroxy-4-naphthalenesulfonate

2-amino-1-naphthol-4-sulfonic acid

1-amino-2-naphthol-4-sulfonic acid

Downstream raw materials:

2-hydroxynaphtho-1,4-quinone

4-[bis-(2-chloro-ethyl)-amino]-[1,2]naphthoquinone

4-(cyanomethyl)-1,2-naphthoquinone

(3,4-dioxo-3,4-dihydro-[1]naphthyl)-malonic acid diethyl ester

Refernces

• 1、 -. "Method for dyeing keratinous fibres using an aminoindole in combination with a quinone derivative". . . Retrieved 2008/06/13.