4-Acetylamino-5-hydroxynaphthalene-2,7-disulfonic acid

Base Information

• Chemical Name: 4-Acetylamino-5-hydroxynaphthalene-2,7-disulfonic acid
• CAS No.: 134-34-9
• Deprecated CAS: 1427309-19-0
• Molecular Formula: C12H11NO8S2
• Molecular Weight: 361.353
• Hs Code.: 2924299090
• European Community (EC) Number: 205-139-2
• DSSTox Substance ID: DTXSID2059641
• Nikkaji Number: J5.591C
• Wikidata: Q27467690
• ChEMBL ID: CHEMBL144613
• Mol file: 134-34-9.mol

Synonyms:4-(acetylamino)-5-hydroxy-2,7-naphthalenedisulfonic acid;4-(acetylamino)-5-hydroxy-2,7-naphthalenedisulfonic acid, disodium salt;Y-3 cpd

Chemical Property of 4-Acetylamino-5-hydroxynaphthalene-2,7-disulfonic acid

Chemical Property:

• PKA: -0.30±0.40(Predicted)
• PSA: 174.83000
• Density: 1.801 g/cm³
• LogP: 3.23180
• XLogP3: 0
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 360.99260866
• Heavy Atom Count: 23
• Complexity: 662

Purity/Quality:

99% ^*data from raw suppliers

1-ACETAMIDO-8-NAPHTHOL-3,6-DISULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

Technology Process of 4-Acetylamino-5-hydroxynaphthalene-2,7-disulfonic acid

There total 3 articles about 4-Acetylamino-5-hydroxynaphthalene-2,7-disulfonic 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:

4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid (90-20-0) → 1-acetylamino-8-hydroxy-naphthalene-3,6-disulfonic acid (134-34-9)

Guidance literature:

bei der Acetylierung;

Reference yield:

→ 1-acetylamino-8-hydroxy-naphthalene-3,6-disulfonic acid (134-34-9)

Guidance literature:

Beim Behandeln des Natriumsalzes von 8-Amino-1-hydroxy-naphthalin-3,6-disulfonsaeure in Wasser mit Acetanhydrid;

Reference yield:

4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid (90-20-0) + acetic anhydride (108-24-7) → 1-acetylamino-8-hydroxy-naphthalene-3,6-disulfonic acid (134-34-9)

Guidance literature:

With sodium hydroxide; In water; at 15 - 30 ℃; pH=7.0 - 7.2;

upstream raw materials:

4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid

acetic anhydride

Downstream raw materials:

5-amino-4-hydroxy-3-[(1-sulfo-2-naphthyl)azo]naphthalene-2,7-disulfonic acid

5-acetylamino-4-hydroxy-3-(4-sulfo-phenylazo)-naphthalene-2,7-disulfonic acid

2-(8-acetylamino-1-hydroxy-3,6-disulfo-[2]naphthylazo)-benzoic acid