4,4'-Diamino-2,2'-stilbenedisulfonic acid

Base Information

• Chemical Name: 4,4'-Diamino-2,2'-stilbenedisulfonic acid
• CAS No.: 28096-93-7
• Deprecated CAS: 65941-98-2,1586010-34-5
• Molecular Formula: C14H14N2O6S2
• Molecular Weight: 370.407
• European Community (EC) Number: 201-325-2
• NSC Number: 163
• UNII: H68088WVJL
• DSSTox Substance ID: DTXSID60182371
• Nikkaji Number: J488.525B,J5.510G
• Wikipedia: 4,4%E2%80%B2-Diamino-2,2%E2%80%B2-stilbenedisulfonic_acid
• ChEMBL ID: CHEMBL1698380
• Mol file: 28096-93-7.mol

Synonyms:4,4'-diacetamido-2,2'-stilbene disulfonate;4,4-diaminostilbene-2,2'-disulfonic acid;amsonic acid;amsonic acid, disodium salt;amsonic acid, sodium salt;DADS;DAS;DASD;DASSA;DSD acid

Chemical Property of 4,4'-Diamino-2,2'-stilbenedisulfonic acid

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 370.02932852
• Heavy Atom Count: 24
• Complexity: 606

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Nitrogen Compounds -> Aminobenzoic Acids
• Canonical SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
• Isomeric SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)N)S(=O)(=O)O

Technology Process of 4,4'-Diamino-2,2'-stilbenedisulfonic acid

There total 7 articles about 4,4'-Diamino-2,2'-stilbenedisulfonic 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: 67.0%

1-fluoro-4-methoxybenzene (459-60-9) + 4-tercbutyl-cyclohexanone (98-53-3) → 1,1-difluoro-4-t-butylcyclohexane (19422-34-5) + trans-4,4'-diaminostilbene-2,2'-disulfonic acid (28096-93-7)

Guidance literature:

With BF_3.OEt₂; diethylaminosulfur trifluoride; In dichloromethane;

Reference yield: 66.0%

→ trans-4,4'-diaminostilbene-2,2'-disulfonic acid (28096-93-7)

Guidance literature:

Reference yield:

4,4'-dinitro-stilbene-2,2'-disulphonic acid (78333-25-2,128-42-7) → cis-4,4'-dinitrostilbene-2,2'-disulfonic acid (98367-20-5) + trans-4,4'-diaminostilbene-2,2'-disulfonic acid (28096-93-7)

Guidance literature:

With hydrogen; cadmium(II) carbonate; palladium; In water; at 29.9 ℃; under 22501.8 Torr; pH 9;

upstream raw materials:

4,4'-dinitro-stilbene-2,2'-disulphonic acid

1-fluoro-4-methoxybenzene

4-tercbutyl-cyclohexanone

Downstream raw materials:

cis-4,4'-dinitrostilbene-2,2'-disulfonic acid

2,2'-[(E)-1,2-ethenediyl]bis[5-aminobenzenesulfonic acid], bis(1-methylethyl) ester

5-[4-[(methylsulfonyl)-3-nitrobenzoyl]amino]-2-[(E)-2-[4-amino-2-sulfophenyl]ethenyl]benzenesulfonic acid, bis(1-methylethyl) ester

2-[(E)-2-[2-(isopropoxysulfonyl)-4-[4-(methylsulfonyl)-3-nitrobenzoyl]aminophenyl]ethenyl]-5-[4-[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]benzenesulfonic acid, (1-methylethyl) ester