2-(4-Methyl-1-piperazinyl)-7-nitro-10-methyl-3,4-diazaphenoxazine

Base Information

• Chemical Name: 2-(4-Methyl-1-piperazinyl)-7-nitro-10-methyl-3,4-diazaphenoxazine
• CAS No.: 61939-60-4
• Molecular Formula: C₁₆H₁₈N₆O₃
• Molecular Weight: 342.357
• DSSTox Substance ID: DTXSID10210971
• Nikkaji Number: J78.851A
• Wikidata: Q83085802
• Mol file: 61939-60-4.mol

Synonyms:61939-60-4;2-(4-Methyl-1-piperazinyl)-7-nitro-10-methyl-3,4-diazaphenoxazine;5H-Pyridazino(3,4-b)(1,4)benzoxazine, 5-methyl-3-(4-methyl-1-piperazinyl)-8-nitro-;5-Methyl-3-(4-methyl-1-piperazinyl)-8-nitro-5H-pyridazino(3,4-b)(1,4)benzoxazine;5-Methyl-3-(4-methyl-1-piperazinyl)-8-nitro-5H-pyridazino[3,4-b][1,4]benzoxazine;DTXSID10210971;C16H21N6O3;C16-H21-N6-O3;LS-129670

Chemical Property of 2-(4-Methyl-1-piperazinyl)-7-nitro-10-methyl-3,4-diazaphenoxazine

Chemical Property:

• Vapor Pressure: 1.09E-14mmHg at 25°C
• Boiling Point: 607.2°Cat760mmHg
• Flash Point: 321°C
• PSA: 90.55000
• Density: 1.37g/cm³
• LogP: 2.60130
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 342.14403846
• Heavy Atom Count: 25
• Complexity: 495

Purity/Quality:

5-METHYL-3-(4-METHYL-1-PIPERAZINYL)-8-NITRO-5H-PYRIDAZINO[3,4-B][1,4]BENZOXAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=C(O3)C=C(C=C4)[N+](=O)[O-])C

Technology Process of 2-(4-Methyl-1-piperazinyl)-7-nitro-10-methyl-3,4-diazaphenoxazine

There total 8 articles about 2-(4-Methyl-1-piperazinyl)-7-nitro-10-methyl-3,4-diazaphenoxazine 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:

3-chloro-8-nitro-5H-benzo[b]pyridazino[4,3-e][1,4]oxazine (58539-58-5) → 5-methyl-3-(4-methyl-piperazin-1-yl)-8-nitro-5H-benzo[b]pyridazino[4,3-e][1,4]oxazine (61939-60-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KOH / ethanol / Heating

2: dimethylformamide / Heating

With potassium hydroxide; In ethanol; N,N-dimethyl-formamide;

DOI:10.1007/BF00758093

Reference yield:

6-nitro-3H-benzooxazol-2-one (4694-91-1) → 5-methyl-3-(4-methyl-piperazin-1-yl)-8-nitro-5H-benzo[b]pyridazino[4,3-e][1,4]oxazine (61939-60-4)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) aq. KOH, EtOH, (ii) /BRN= 124500/

2: aq. KOH / ethanol / Heating

3: dimethylformamide / Heating

With potassium hydroxide; In ethanol; N,N-dimethyl-formamide;

DOI:10.1007/BF00758093

Reference yield:

3-chloro-5H-benzo[b]pyridazino[4,3-e][1,4]oxazine (1016-95-1) → 5-methyl-3-(4-methyl-piperazin-1-yl)-8-nitro-5H-benzo[b]pyridazino[4,3-e][1,4]oxazine (61939-60-4)

Guidance literature:

Multi-step reaction with 3 steps

1: HNO₃ / acetic acid

2: aq. KOH / ethanol / Heating

3: dimethylformamide / Heating

With potassium hydroxide; nitric acid; In ethanol; acetic acid; N,N-dimethyl-formamide;

DOI:10.1007/BF00758093

upstream raw materials:

1-methyl-piperazine

3-chloro-5-methyl-8-nitro-5H-benzo[b]pyridazino[4,3-e][1,4]oxazine

pipofezine

3-chloro-8-nitro-5H-benzo[b]pyridazino[4,3-e][1,4]oxazine

Downstream raw materials:

1-[5-methyl-3-(4-methyl-piperazin-1-yl)-5H-benzo[b]pyridazino[4,3-e][1,4]oxazin-8-yl]-3-phenyl-thiourea

5-methyl-3-(4-methyl-piperazin-1-yl)-5H-benzo[b]pyridazino[4,3-e][1,4]oxazin-8-ylamine