Naphth[1,2-d]oxazole-5-sulfonic acid, 2-(4-nitrophenyl)-

Base Information

• Chemical Name: Naphth[1,2-d]oxazole-5-sulfonic acid, 2-(4-nitrophenyl)-
• CAS No.: 52469-45-1
• Molecular Formula: C₁₇H₁₀N₂O₆S
• Molecular Weight: 370.342
• DSSTox Substance ID: DTXSID30471188
• Mol file: 52469-45-1.mol

Synonyms:52469-45-1;Naphth[1,2-d]oxazole-5-sulfonic acid, 2-(4-nitrophenyl)-;DTXSID30471188

Chemical Property of Naphth[1,2-d]oxazole-5-sulfonic acid, 2-(4-nitrophenyl)-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 370.02595722
• Heavy Atom Count: 26
• Complexity: 637

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC3=C2N=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)O

Technology Process of Naphth[1,2-d]oxazole-5-sulfonic acid, 2-(4-nitrophenyl)-

There total 2 articles about Naphth[1,2-d]oxazole-5-sulfonic acid, 2-(4-nitrophenyl)- 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:

1-amino-2-naphthol-4-sulfonic acid (116-63-2) + 4-nitrobenzaldehdye (555-16-8) → 2-(4-nitro-phenyl)-naphtho[1,2-d]oxazole-5-sulfonic acid (52469-45-1)

Guidance literature:

In butan-1-ol; Heating;

Reference yield:

4-nitrobenzaldehdye (555-16-8) + 1-amino-2-naphthol-4-sulfonic acid monosodium salt (5959-58-0) → 2-(4-nitro-phenyl)-naphtho[1,2-d]oxazole-5-sulfonic acid (52469-45-1)

Guidance literature:

With morpholine; In 1,4-dioxane; ethanol; Heating;

Reference yield:

2-(4-nitro-phenyl)-naphtho[1,2-d]oxazole-5-sulfonic acid (52469-45-1) → 2-(4-amino-phenyl)-naphtho[1,2-d]oxazole-5-sulfonic acid (52469-32-6)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; In ethanol;

upstream raw materials:

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

4-nitrobenzaldehdye

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

Downstream raw materials:

2-(4-amino-phenyl)-naphtho[1,2-d]oxazole-5-sulfonic acid

2-(4-nitro-phenyl)-naphtho[1,2-d]oxazole-5-sulfonyl chloride

2-(4-nitro-phenyl)-naphtho[1,2-d]oxazole-5-sulfonic acid phenyl ester

2-(4-nitro-phenyl)-naphtho[1,2-d]oxazole-5-thiosulfonic acid S-phenyl ester