8-Methyl-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-C][1,4]benzoxazine

Base Information

• Chemical Name: 8-Methyl-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-C][1,4]benzoxazine
• CAS No.: 96753-80-9
• Molecular Formula: C₁₀H₉N₃O₂
• Molecular Weight: 203.2
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80541441
• Wikidata: Q82417808
• Mol file: 96753-80-9.mol

Synonyms:96753-80-9;8-METHYL-2,4-DIHYDRO-1-OXO-1,2,4-TRIAZOLO[3,4-C][1,4]BENZOXAZINE;8-methyl-2,4-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one;DTXSID80541441;8-Methyl-2,4-dihydro-1H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one

Chemical Property of 8-Methyl-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-C][1,4]benzoxazine

Chemical Property:

• PSA: 60.17000
• LogP: 1.17370
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 203.069476538
• Heavy Atom Count: 15
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

8-Methyl-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OCC3=NNC(=O)N32

Technology Process of 8-Methyl-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-C][1,4]benzoxazine

There total 4 articles about 8-Methyl-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-C][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:

6-methyl-4H-benzo[1,4]oxazin-3-one (39522-26-4) → 8-Methyl-2,4-dihydro-5-oxa-2,3,9b-triaza-cyclopenta[a]naphthalen-1-one (96753-80-9)

Guidance literature:

Multi-step reaction with 3 steps

1: Lawesson's reagent

2: dimethylformamide / Heating

3: cyclodehydration

With Lawessons reagent; In N,N-dimethyl-formamide;

Reference yield:

3-amino-4-hydroxytoluene (95-84-1) → 8-Methyl-2,4-dihydro-5-oxa-2,3,9b-triaza-cyclopenta[a]naphthalen-1-one (96753-80-9)

Guidance literature:

Multi-step reaction with 4 steps

2: Lawesson's reagent

3: dimethylformamide / Heating

4: cyclodehydration

With Lawessons reagent; In N,N-dimethyl-formamide;

Reference yield:

6-methyl-2H-1,4-benzoxazine-3(4H)-thione (81836-85-3) → 8-Methyl-2,4-dihydro-5-oxa-2,3,9b-triaza-cyclopenta[a]naphthalen-1-one (96753-80-9)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / Heating

2: cyclodehydration

In N,N-dimethyl-formamide;

upstream raw materials:

6-methyl-4H-benzo[1,4]oxazin-3-one

6-methyl-2H-1,4-benzoxazine-3(4H)-thione

3-amino-4-hydroxytoluene

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