3-Hydroxy-5-sulfo-2-naphthoic acid

Base Information

• Chemical Name: 3-Hydroxy-5-sulfo-2-naphthoic acid
• CAS No.: 86-64-6
• Molecular Formula: C11H8 O6 S
• Molecular Weight: 268.247
• Hs Code.: 2918290000
• European Community (EC) Number: 201-688-7
• DSSTox Substance ID: DTXSID001006574
• Nikkaji Number: J192.638A
• Wikidata: Q83002332
• Mol file: 86-64-6.mol

Synonyms:3-Hydroxy-5-sulfo-2-naphthoic acid;86-64-6;3-Hydroxy-5-sulpho-2-naphthoic acid;EINECS 201-688-7;NSC 40597;NSC40597;6313-96-8;3-hydroxy-5-sulfonaphthalene-2-carboxylic acid;C11H8O6S;SCHEMBL1805368;3-hydroxy-5-sulfo-2-naphthoesyre;DTXSID001006574;C11-H8-O6-S;3-Hydroxy-5-sulfo-2-naphthalenecarboxylic acid;3-hydroxy-5-sulfo-naphthalene-2-carboxylic acid;2-Naphthalenecarboxylic acid, 3-hydroxy-5-sulfo-

Chemical Property of 3-Hydroxy-5-sulfo-2-naphthoic acid

Chemical Property:

• PSA: 120.28000
• Density: 1.705g/cm³
• LogP: 2.57110
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 268.00415914
• Heavy Atom Count: 18
• Complexity: 425

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CC(=C(C=C2C(=C1)S(=O)(=O)O)O)C(=O)O

Technology Process of 3-Hydroxy-5-sulfo-2-naphthoic acid

There total 2 articles about 3-Hydroxy-5-sulfo-2-naphthoic 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:

3-Hydroxy-2-naphthoic acid (92-70-6) → 3-hydroxy-5-sulfo-[2]naphthoic acid (86-64-6)

Guidance literature:

With sulfuric acid;

Reference yield:

→ 3-hydroxy-5-sulfo-[2]naphthoic acid (86-64-6)

Guidance literature:

3-Hydroxy-2-naphthoesaeure, H2SO4;

Reference yield:

3-hydroxy-5-sulfo-[2]naphthoic acid (86-64-6) → 3-sulfophthalic acid (67892-43-7)

Guidance literature:

upstream raw materials:

3-Hydroxy-2-naphthoic acid

Downstream raw materials:

7-hydroxy-naphthalene-1-sulfonic acid

7-aminonaphthalene-1-sulfonic acid

3-sulfophthalic acid

2-anilinonaphthalene-8-sulfonic acid

Refernces

Biotransformation of desoxypeganine by microsomal enzymes of the rabbit liver

10.1002/ardp.200400921

The research details an in vitro study on the biotransformation of Desoxypeganine, an anticholinergic quinazoline alkaloid, by rabbit liver microsomal enzymes. The purpose of the study was to investigate the metabolic pathways and kinetics of Desoxypeganine, which has therapeutic potential for Alzheimer's disease, alcoholism, and nicotine dependence. The researchers used aerobic incubation with rabbit liver homogenates as the enzyme source, supplemented with NADPH, and identified metabolites through high-performance liquid chromatography and mass spectrometry. The main conclusion was that Desoxypeganine is readily oxidized to its inactive metabolite Pegenone, which poses a challenge for dosage in pharmaceutical formulations. Key chemicals used in the process included Desoxypeganine, Pegenone, Vasicinone, Isovasicinone, NADPH, and various buffer solutions for the incubation and extraction steps.