1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate

Base Information

• Chemical Name: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate
• CAS No.: 126598-46-7
• Molecular Formula: C₁₄H₁₆N₄O₄S
• Molecular Weight: 336.371
• DSSTox Substance ID: DTXSID80925621
• Mol file: 126598-46-7.mol

Synonyms:126598-46-7;1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate;DTXSID80925621;C14H16N4O4S.3H2O;C14-H16-N4-O4-S.3H2-O;LS-129620;2-{2-[Hydroxy(methyl)amino]propyl}-2,3-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-1,5,5-trione

Chemical Property of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate

Chemical Property:

• Vapor Pressure: 9.54E-15mmHg at 25°C
• Boiling Point: 589.6°C at 760 mmHg
• Flash Point: 310.4°C
• Density: 1.55g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 336.08922618
• Heavy Atom Count: 23
• Complexity: 667

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN1C(=O)C2=C(C=N1)S(=O)(=O)C3=CC=CC=C3N2)N(C)O

Technology Process of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate

There total 1 articles about 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate 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:

2H-pyridazino<4,5-b><1,4>benzothiazin-1(10H)-one (2843-07-4) → C14H16N4O4S (126598-46-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / N methanolic KOH / ethanol / 6 h / Heating

2: 85 percent / 35 percent(m/v) hydrogen peroxide, ammonium molybdate / acetic acid; H₂O / 1 h / 100 °C

With potassium hydroxide; ammonium molybdate; dihydrogen peroxide; In ethanol; water; acetic acid;

Reference yield:

C14H16N4O4S (126598-46-7) → 3-(2-Dimethylamino-ethyl)-9,9-dioxo-9,10-dihydro-3H-9λ6-thia-2,3,10-triaza-anthracen-4-one

Guidance literature:

With iron; acetic acid; In water; at 50 ℃; for 1h;

upstream raw materials:

2H-pyridazino<4,5-b><1,4>benzothiazin-1(10H)-one