9H-Thioxanthene-3,6-diamine, 10,10-dioxide

Base Information

• Chemical Name: 9H-Thioxanthene-3,6-diamine, 10,10-dioxide
• CAS No.: 10215-25-5
• Molecular Formula: C13H12 N2 O2 S
• Molecular Weight: 260.316
• Hs Code.: 29349990
• European Community (EC) Number: 233-527-1
• DSSTox Substance ID: DTXSID1065001
• Nikkaji Number: J48.784H
• Wikidata: Q81991904
• ChEMBL ID: CHEMBL5023621
• Mol file: 10215-25-5.mol

Synonyms:10215-25-5;3,6-THIOXANTHENEDIAMINE-10,10-DIOXIDE;9H-Thioxanthene-3,6-diamine, 10,10-dioxide;9H-thioxanthene-3,6-diamine 10,10-dioxide;10,10-dioxo-9H-thioxanthene-3,6-diamine;3,6-Diamino-9H-thioxanthene 10,10-dioxide;BRN 0233223;EINECS 233-527-1;MFCD00041841;3,7-Thiaxanthenediamine-5,5-dioxide;9H-Thioxanthene-3,7-diamine, 5,5-dioxide;0-18-00-00592 (Beilstein Handbook Reference);10H-dibenzo[b,e]thiopyran-3,7-diamine 5,5-dioxide;9H-Thioxanthene-3,6-diamine,10,10-dioxide;3,7-diamino-10H-dibenzo[b,e]thiin-5,5-dione;Oprea1_788127;SCHEMBL866078;CHEMBL5023621;DTXSID1065001;BBL003427;STK803114;AKOS005614062;VS-01331;LS-153600;3,6-Diamino-9H-thioxanthene10,10-dioxide;CS-0132390;FT-0621670;E79038;3,6-DIAMINO-9H-10??-THIOXANTHENE-10,10-DIONE

Chemical Property of 9H-Thioxanthene-3,6-diamine, 10,10-dioxide

Chemical Property:

• Vapor Pressure: 5.09E-13mmHg at 25°C
• Melting Point: 213-215 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 570.3°Cat760mmHg
• PKA: 3.62±0.20(Predicted)
• Flash Point: 298.7°C
• PSA: 94.56000
• Density: 1.468g/cm³
• LogP: 3.83120
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly, Heated)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 260.06194880
• Heavy Atom Count: 18
• Complexity: 385

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,6-Thioxanthenediamine-10,10-dioxide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C=C(C=C2)N)S(=O)(=O)C3=C1C=CC(=C3)N
• Uses: 3,6-Thioxanthenediamine-10,10-dioxide (cas# 10215-25-5) is a compound useful in organic synthesis.

Technology Process of 9H-Thioxanthene-3,6-diamine, 10,10-dioxide

There total 1 articles about 9H-Thioxanthene-3,6-diamine, 10,10-dioxide 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: 83.0%

4,4'-diamino diphenyl methane (101-77-9) → 3,6-diamino-thioxanthene-10,10-dioxide (10215-25-5)

Guidance literature:

With fuming sulfuric acid; at 80 ℃; for 17h;

DOI:10.1016/j.dyepig.2018.06.026

Reference yield:

3,6-diamino-thioxanthene-10,10-dioxide (10215-25-5) → C32H33N2O2S(1+)*C2F3O2(1-)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium carbonate / acetonitrile / 80 °C

2.1: chloranil / 1,2-dichloro-ethane / Reflux

3.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 - 20 °C / Inert atmosphere

3.2: 20 °C / Inert atmosphere

4.1: dichloromethane / 0.5 h / 20 °C

With n-butyllithium; chloranil; potassium carbonate; In tetrahydrofuran; hexane; dichloromethane; 1,2-dichloro-ethane; acetonitrile;

DOI:10.1016/j.dyepig.2018.06.026

Reference yield:

3,6-diamino-thioxanthene-10,10-dioxide (10215-25-5) → C32H34N2O2S

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / acetonitrile / 80 °C

2.1: chloranil / 1,2-dichloro-ethane / Reflux

3.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 - 20 °C / Inert atmosphere

3.2: 20 °C / Inert atmosphere

With n-butyllithium; chloranil; potassium carbonate; In tetrahydrofuran; hexane; 1,2-dichloro-ethane; acetonitrile;

DOI:10.1016/j.dyepig.2018.06.026

upstream raw materials:

4,4'-diamino diphenyl methane

Refernces