4-{Bis[4-(diethylamino)phenyl](hydroxy)methyl}naphthalene-2,7-disulfonic acid

Base Information

• Chemical Name: 4-{Bis[4-(diethylamino)phenyl](hydroxy)methyl}naphthalene-2,7-disulfonic acid
• CAS No.: 107572-88-3
• Molecular Formula: C₃₁H₃₆N₂O₇S₂
• Molecular Weight: 612.768
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID40702495
• Nikkaji Number: J23.087A
• Wikidata: Q82634418
• Mol file: 107572-88-3.mol

Synonyms:107572-88-3;DTXSID40702495;UVHLBFCBPVYVQR-UHFFFAOYSA-N;1-[Bis[4-(diethylamino)phenyl]hydroxymethyl]-3,6-naphthalenedisulfonic acid;4-{Bis[4-(diethylamino)phenyl](hydroxy)methyl}naphthalene-2,7-disulfonic acid

Chemical Property of 4-{Bis[4-(diethylamino)phenyl](hydroxy)methyl}naphthalene-2,7-disulfonic acid

Chemical Property:

• PSA: 152.21000
• LogP: 7.47140
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 612.19639384
• Heavy Atom Count: 42
• Complexity: 1030

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)(C3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)O

Technology Process of 4-{Bis[4-(diethylamino)phenyl](hydroxy)methyl}naphthalene-2,7-disulfonic acid

There total 4 articles about 4-{Bis[4-(diethylamino)phenyl](hydroxy)methyl}naphthalene-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:

bis-(4-diethylamino-phenyl)-(3,6-disulfo-[1]naphthyl)-methylium betaine (67828-32-4) → 4-(4,4'-bis-diethylamino-α-hydroxy-benzhydryl)-naphthalene-2,7-disulfonic acid (107572-88-3)

Guidance literature:

With water; at 17 ℃; Gleichgewicht mit H₂O;

Reference yield:

naphthalene (91-20-3,71998-51-1,72931-45-4) + 4,4'-bis(N,N-diethylamino)benzhydrol (134-91-8) → 4-(4,4'-bis-diethylamino-α-hydroxy-benzhydryl)-naphthalene-2,7-disulfonic acid (107572-88-3)

Guidance literature:

With sulfuric acid; at 50 - 60 ℃; nachf. Oxydation;

Reference yield:

2,7-naphthalenedisulfonic acid (92-41-1) + 4,4'-bis(N,N-diethylamino)benzhydrol (134-91-8) → 4-(4,4'-bis-diethylamino-α-hydroxy-benzhydryl)-naphthalene-2,7-disulfonic acid (107572-88-3)

Guidance literature:

With sulfuric acid; nachf. Oxydation mit Blei(IV)-oxyd in schwefelsaurer Loesung;

upstream raw materials:

naphthalene

4,4'-bis(N,N-diethylamino)benzhydrol

2,7-naphthalenedisulfonic acid

bis-(4-diethylamino-phenyl)-(3,6-disulfo-[1]naphthyl)-methylium betaine