8-Amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one

Base Information

• Chemical Name: 8-Amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one
• CAS No.: 870064-85-0
• Molecular Formula: C₁₀H₁₂N₂O₂
• Molecular Weight: 192.217
• Hs Code.: 2934999090
• European Community (EC) Number: 823-488-4
• Mol file: 870064-85-0.mol

Synonyms:8-Amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one;870064-85-0;MFCD09998375;8-amino-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one;8-amino-2,4-dimethyl-1,4-benzoxazin-3-one;VJB06485;AKOS016378089;NS-01832;CS-0457527;8-Amino-2,4-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Chemical Property of 8-Amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 192.089877630
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

8-amino-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1C(=O)N(C2=CC=CC(=C2O1)N)C

Technology Process of 8-Amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one

There total 6 articles about 8-Amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one 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:

6-chloro-8-nitro-4H-benzo[1,4]oxazin-2,4-dimethyl-3-one (870064-78-1) → 8-amino-4H-benzo[1,4]oxazin-2,4-dimethyl-3-one (870064-85-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 50 ℃; for 4h; under 2250.18 Torr;

DOI:10.1021/jm050148z

Reference yield:

6-chloro-8-nitro-4H-benzo[1,4]oxazin-2-methyl-3-one (870064-75-8) → 8-amino-4H-benzo[1,4]oxazin-2,4-dimethyl-3-one (870064-85-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / KOH / dimethylformamide / 22 h

2: H₂ / Pd/C / aq. ethanol / 4 h / 50 °C / 2250.18 Torr

With potassium hydroxide; hydrogen; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm050148z

Reference yield:

2-chloro-N-(5-chloro-2-hydroxy-3-nitro-phenyl)-propionamide → 8-amino-4H-benzo[1,4]oxazin-2,4-dimethyl-3-one (870064-85-0)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. potassium carbonate / toluene / 2 h / Heating

2: 90 percent / KOH / dimethylformamide / 22 h

3: H₂ / Pd/C / aq. ethanol / 4 h / 50 °C / 2250.18 Torr

With potassium hydroxide; hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm050148z

upstream raw materials:

6-chloro-8-nitro-4H-benzo[1,4]oxazin-2,4-dimethyl-3-one

6-chloro-8-nitro-4H-benzo[1,4]oxazin-2-methyl-3-one

2-chloro-N-(5-chloro-2-hydroxyphenyl)propionamide

2-hydroxy-5-chloro-aniline