7-Nitro-3,4-dihydro-2H-1,4-benzoxazine

Base Information

• Chemical Name: 7-Nitro-3,4-dihydro-2H-1,4-benzoxazine
• CAS No.: 120711-81-1
• Molecular Formula: C8H8N2O3
• Molecular Weight: 180.163
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90593572
• Wikidata: Q82488074
• Mol file: 120711-81-1.mol

Synonyms:120711-81-1;7-Nitro-3,4-dihydro-2H-1,4-benzoxazine;7-Nitro-3,4-dihydro-2H-1,4-benzooxazine;7-NITRO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE;7-Nitro-3,4-dihydro-2H-benzo[1,4]oxazine;MFCD11603433;SCHEMBL303351;DTXSID90593572;YKCFDUNYLMTXFC-UHFFFAOYSA-N;BCP21612;AKOS005072293;2,3-dihydro-7-nitro-1,4-benzoxazine;AB64327;CD-0744;CS-W022553;SY107093;3,4-dihydro-7-nitro-2H-1,4-benzoxazine;7-nitro-2,3-dihydro-4H-1,4-benzoxazine;DB-023255;AM20061015;3,4-dihydro-7-nitro-2H-benzo[b][1,4]oxazine;EN300-6735481;A804567;J-519323;7-Nitro-3 pound not4-dihydro-2H-1 pound not4-benzooxazine;7-Nitro-3,4-dihydrobenzo[1,4]oxazine

Chemical Property of 7-Nitro-3,4-dihydro-2H-1,4-benzoxazine

Chemical Property:

• Melting Point: 187-188°
• Boiling Point: 341.6±42.0 °C(Predicted)
• PKA: 0.23±0.20(Predicted)
• PSA: 67.08000
• Density: 1.332±0.06 g/cm3(Predicted)
• LogP: 2.06030
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Sparingly soluble in water (0.76 g/L at 25°C).
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 180.05349212
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

7-Nitro-3,4-dihydro-2H-1,4-benzooxazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(N1)C=CC(=C2)[N+](=O)[O-]
• Uses: 7-Nitro-3,4-dihydro-2H-1,4-benzooxazine can be used as pain drugs to prevent and treat chronic pain.

Technology Process of 7-Nitro-3,4-dihydro-2H-1,4-benzoxazine

There total 11 articles about 7-Nitro-3,4-dihydro-2H-1,4-benzoxazine 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: 98.0%

7-nitro-4H-benzo[1,4]oxazin-3-one (81721-86-0) → 3,4-dihydro-7-nitro-2H-1,4-benzoxazine (120711-81-1)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; Heating;

DOI:10.1021/jm061329j

Reference yield: 95.9%

7-nitro-4H-benzo[1,4]oxazin-3-one (81721-86-0) → 2-chloro-N-(2-hydroxy-4-nitrophenyl)acetamide (128201-57-0) + 3,4-dihydro-7-nitro-2H-1,4-benzoxazine (120711-81-1)

Guidance literature:

Reference yield: 94.0%

4-acetyl-3,4-dihydro-7-nitro-1,4-benzoxazine (120711-94-6) → 3,4-dihydro-7-nitro-2H-1,4-benzoxazine (120711-81-1)

Guidance literature:

With hydrogenchloride; In ethanol; Reflux;

upstream raw materials:

7-nitro-4H-benzo[1,4]oxazin-3-one

ethylene dibromide

2-hydroxy-5-nitroaniline

3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Downstream raw materials:

3,4-dihydro-4-(p-methoxybenzyl)-7-nitro-2H-1,4-benzoxazine

7-amino-3,4-dihydro-4-(p-methoxybenzyl)-2H-1,4-benzoxazine

4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-7-ylamine

Refernces

• 1、 -. "1 - N - substituted benzyl - 6 - N ' - substituted - 2, 3, 6, 9 - tetrahydro - 1H - [1, 4] oxazino [3, 2 - g] quinoline - 9 - keto - 8 - formic acid class compound and its preparation method and application". . . Retrieved 2017/08/25.
• 2、 Mofford, David M.,Reddy, Gadarla Randheer,Miller, Stephen C.. "Aminoluciferins extend firefly luciferase bioluminescence into the near-infrared and can be preferred substrates over d-luciferin". supporting information. p. 13277 - 13282. Retrieved 2015/03/30.