16,17-Dimethoxyanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-diyl bis(hydrogen sulphate)

Base Information

• Chemical Name: 16,17-Dimethoxyanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-diyl bis(hydrogen sulphate)
• CAS No.: 2678-71-9
• Molecular Formula: C36H22 O10 S2
• Molecular Weight: 678.697
• European Community (EC) Number: 220-230-7
• DSSTox Substance ID: DTXSID10181293
• Nikkaji Number: J192.192D
• Wikidata: Q83051902
• Mol file: 2678-71-9.mol

Synonyms:EINECS 220-230-7;2678-71-9;16,17-Dimethoxyanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-diyl bis(hydrogen sulphate);16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl bis(hydrogen sulphate);16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl bis(hydrogen sulfate);DTXSID10181293;C36H22O10S2;C36-H22-O10-S2;16,17-Dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diol 5,10-bissulfate;Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-diol, 16,17-dimethoxy-, bis(hydrogen sulfate)

Chemical Property of 16,17-Dimethoxyanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-diyl bis(hydrogen sulphate)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 162.42000
• Density: 1.684g/cm³
• LogP: 10.32980
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 678.06543924
• Heavy Atom Count: 48
• Complexity: 1330

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C3=C4C(=C(C5=CC=CC=C5C4=C1)OS(=O)(=O)O)C=CC3=C6C=CC7=C(C8=CC=CC=C8C9=CC(=C2C6=C79)OC)OS(=O)(=O)O

Technology Process of 16,17-Dimethoxyanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-diyl bis(hydrogen sulphate)

There total 4 articles about 16,17-Dimethoxyanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-diyl bis(hydrogen sulphate) 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:

Jade Green XBN (128-58-5) → 16,17-dimethoxy-5,10-bis-sulfooxy-anthra[9,1,2-cde]benzo[rst]pentaphene (2678-71-9)

Guidance literature:

With pyridine; chlorosulphuric acid; hydrogen sulfide; at 50 ℃;

Reference yield:

16,17-dimethoxy-anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diol (3951-01-7) → 16,17-dimethoxy-5,10-bis-sulfooxy-anthra[9,1,2-cde]benzo[rst]pentaphene (2678-71-9)

Guidance literature:

With pyridine; chlorosulphuric acid;

Reference yield:

pyridine-SO3 complex (42824-16-8) + 16,17-dimethoxy-anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diol (3951-01-7) → 16,17-dimethoxy-5,10-bis-sulfooxy-anthra[9,1,2-cde]benzo[rst]pentaphene (2678-71-9)

Guidance literature:

With pyridine;

upstream raw materials:

pyridine-SO₃ complex

16,17-dimethoxy-anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diol

Jade Green XBN