1,2,4-Benzotriazine, 3-chloro-7-methyl-, 1-oxide

Base Information

• Chemical Name: 1,2,4-Benzotriazine, 3-chloro-7-methyl-, 1-oxide
• CAS No.: 54448-50-9
• Molecular Formula: C8H6ClN3O
• Molecular Weight: 195.608
• DSSTox Substance ID: DTXSID60509741
• Wikidata: Q82367572
• Mol file: 54448-50-9.mol

Synonyms:54448-50-9;1,2,4-Benzotriazine, 3-chloro-7-methyl-, 1-oxide;3-chloro-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium;3-Chloro-7-methyl-1,2,4-benzotriazine1-Oxide;3-chloro-7-methylbenzo[e][1,2,4]triazine 1-oxide;SCHEMBL2129100;DTXSID60509741;FAHQCNVADJMQMX-UHFFFAOYSA-N;3-Chloro-7-methyl-1,2,4-benzotriazine 1-oxide;3-Chloro-7-methyl-1-oxo-1lambda~5~,2,4-benzotriazine

Chemical Property of 1,2,4-Benzotriazine, 3-chloro-7-methyl-, 1-oxide

Chemical Property:

• PSA: 51.24000
• LogP: 2.02010
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 195.0199395
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

3-Chloro-7-methyl-1,2,4-benzotriazine1-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(N=[N+]2[O-])Cl
• Uses: 3-Chloro-7-methyl-1,2,4-benzotriazine 1-Oxide is an intermediate in the synthesis of Azapropazone which is a non-steroidal anti-inflammatory drug.

Technology Process of 1,2,4-Benzotriazine, 3-chloro-7-methyl-, 1-oxide

There total 4 articles about 1,2,4-Benzotriazine, 3-chloro-7-methyl-, 1-oxide 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: 80.0%

7-methyl-1-oxy-4H-benzo[e][1,2,4]triazin-3-one (27446-11-3) → 3-Chloro-7-methylbenzo-1,2,4-triazine 1-Oxide (54448-50-9)

Guidance literature:

With trichlorophosphate; for 0.5h; Heating;

DOI:10.1002/ardp.200600201

Reference yield: 73.0%

7-Methyl-1-oxy-4H-benzo[1,2,4]triazin-3-one (27446-11-3) → 3-Chloro-7-methylbenzo-1,2,4-triazine 1-Oxide (54448-50-9)

Guidance literature:

With trichlorophosphate; for 1h; Heating;

DOI:10.1002/jhet.5570190310

Reference yield: 72.0%

3-Amino-7-methylbenzo-1,2,4-triazin 1-Oxide (27281-74-9) → 3-Chloro-7-methylbenzo-1,2,4-triazine 1-Oxide (54448-50-9)

Guidance literature:

With sodium nitrite; trichlorophosphate; In hydrogenchloride; aqueous NH₃; water; ethyl acetate; 2,3-Dimethylaniline;

upstream raw materials:

7-Methyl-1-oxy-4H-benzo[1,2,4]triazin-3-one

7-methyl-1-oxy-4H-benzo[e][1,2,4]triazin-3-one

3-Amino-7-methylbenzo-1,2,4-triazin 1-Oxide

Downstream raw materials:

C₁₅H₁₄N₄O

3-(1-(2-chloro-5-((2S,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)tetrahydro-2H-pyran-2-yl)phenyl)-2-methoxy-2-oxoethyl)-7-methylbenzo[e][1,2,4]triazine 1-oxide