Rhoduline Acid

Base Information

• Chemical Name: Rhoduline Acid
• CAS No.: 87-03-6
• Molecular Formula: C20H15NO8S2
• Molecular Weight: 461.473
• Hs Code.: 2934999090
• European Community (EC) Number: 201-719-4
• NSC Number: 37203,1698
• UNII: EB8FE6GXT2
• DSSTox Substance ID: DTXSID8058952
• Nikkaji Number: J4.269B
• Wikidata: Q72506673
• ChEMBL ID: CHEMBL1093490
• Mol file: 87-03-6.mol

Synonyms:87-03-6;Rhoduline Acid;I Acid Imide;J Acid Imide;Di-J acid;RW acid;7,7'-Iminobis(4-hydroxy-2-naphthalenesulfonic acid);NSC-1698;4,4'-Dihydroxy-7,7'-iminodi(naphthalene-2-sulphonic acid);EB8FE6GXT2;2-Naphthalenesulfonic acid, 7,7'-iminobis[4-hydroxy-;NSC 1698;EINECS 201-719-4;2-Naphthalenesulfonic acid, 7,7'-iminobis(4-hydroxy-;7,7'-azanediylbis(4-hydroxynaphthalene-2-sulfonic acid);6,6'-Iminobis(1-hydroxy-3-sulfonaphthalene);4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid;6,6'-Iminobis[1-hydroxy-3-sulfonaphthalene];2-Naphthalenesulfonic acid,7'-iminobis[4-hydroxy-;C20H15NO8S2;UNII-EB8FE6GXT2;SCHEMBL9236771;CHEMBL1093490;DTXSID8058952;NSC1698;NSC37203;4,4'-DIHYDROXY-7,7'-IMINODI(NAPHTHALENE-2-SULFONIC ACID);MFCD00035713;NSC-37203;AKOS040744485;FT-0609306;4,4'-dihydroxy-7,7'-iminodi(naphthalen-2-sulfonsyre);5,5-Dihydroxy-2,2-dinaphthylamine-7,7-disulphonicacid;2-NAPHTHALENESULPHONIC ACID, 7,7'-IMINOBIS(4-HYDROXY-;7,7'-IMINOBIS(4-HYDROXY-2-NAPHTHALENESULPHONIC ACID)

Chemical Property of Rhoduline Acid

Chemical Property:

• Appearance/Colour: Grey-yellow Paste
• Vapor Pressure: 0Pa at 25℃
• Boiling Point: 772.18℃[at 101 325 Pa]
• PKA: -0.14±0.40(Predicted)
• PSA: 177.99000
• Density: 1.734 g/cm³
• LogP: 5.87580
• Water Solubility.: 36.1g/L
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 461.02390878
• Heavy Atom Count: 31
• Complexity: 781

Purity/Quality:

99% ^*data from raw suppliers

7,7'-IMINOBIS(4-HYDROXY-2-NAPHTHALENESULFONIC ACID) 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C=C2C=C1NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)S(=O)(=O)O)O

Technology Process of Rhoduline Acid

There total 3 articles about Rhoduline 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:

→ 7,7'-iminobis(4-hydroxynaphthalene-2-sulfonic acid) (87-03-6)

Guidance literature:

With sodium disulfite; water; at 80 - 100 ℃;

Reference yield:

7-amino-4-hydroxy-2-naphthalenesulfonic acid (87-02-5) → 7,7'-iminobis(4-hydroxynaphthalene-2-sulfonic acid) (87-03-6)

Guidance literature:

With ammonium chloride; water; sodium hydrogensulfite;

Reference yield:

7-amino-4-hydroxy-2-naphthalenesulfonic acid (87-02-5) + furan-2,3,5(4H)-trione pyridine (1:1) → 7,7'-iminobis(4-hydroxynaphthalene-2-sulfonic acid) (87-03-6)

Guidance literature:

at 80 - 100 ℃;

upstream raw materials:

7-amino-4-hydroxy-2-naphthalenesulfonic acid

Downstream raw materials:

4,4'-dihydroxy-3,3'-bis-phenylazo-7,7'-imino-bis-naphthalene-2-sulfonic acid

Refernces

Synthesis and isolation of bromo-β-carbolines obtained by bromination of β-carboline alkaloids

10.1002/jhet.5570380512

The study focuses on the synthesis and isolation of bromo-β-carbolines, which are derivatives of β-carboline alkaloids. The researchers used N-bromosuccinimide (NBS) as the brominating agent to induce electrophilic aromatic substitution in various β-carbolines, including nor-harmane, harmane, harmine, harmol, and 7-acetylharmol. The purpose of using these chemicals was to explore the behavior of substituted β-carbolines, prepare nitro-β-carbolines and bromo-β-carbolines, and investigate their potential use as matrices (photosensitizers) in matrix-assisted ultraviolet laser desorption/ionization time-of-flight mass spectrometry (uv-maldi-tof ms). The study also aimed to understand the effects of substituents on the acid-base properties and electronic excited states of these molecules. The researchers compared the use of NBS in solution and in solid state, and employed semiempirical AM1 and PM3 calculations to predict reactivity in terms of molecular orbital energies and charge density. The results provided insights into the regioselectivity of bromination and the influence of the β-carboline/NBS molar ratio and reaction time on product selectivity.

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