3-Methylbenzo[1,2,4]triazine

Base Information

• Chemical Name: 3-Methylbenzo[1,2,4]triazine
• CAS No.: 6299-94-1
• Molecular Formula: C8H7N3
• Molecular Weight: 145.164
• Hs Code.: 2933699090
• NSC Number: 45058
• DSSTox Substance ID: DTXSID00212202
• Nikkaji Number: J239.893A
• Wikidata: Q83087253
• ChEMBL ID: CHEMBL81437
• Mol file: 6299-94-1.mol

Synonyms:3-METHYLBENZO[1,2,4]TRIAZINE;6299-94-1;3-Methyl-1,2,4-benzotriazine;3-methylbenzo[e][1,2,4]triazine;3-Methyl-benzo[1,2,4]triazine;1,2,4-Benzotriazine, 3-methyl-;3-Methylbenzo[e]1,2,4-triazine;NSC45058;CHEMBL81437;SCHEMBL2629362;DTXSID00212202;JUYHCYCLQJYTJE-UHFFFAOYSA-N;MFCD00100923;NSC 45058;NSC-45058;AKOS006273581;AC-24604;A8700;CS-0172194;FT-0630243;3-Methylbenzo[1 pound not2 pound not4]triazine;J-512888

Chemical Property of 3-Methylbenzo[1,2,4]triazine

Chemical Property:

• Vapor Pressure: 0.00169mmHg at 25°C
• Boiling Point: 303.3°Cat760mmHg
• Flash Point: 142.9°C
• PSA: 38.67000
• Density: 1.214g/cm³
• LogP: 1.33320
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 145.063997236
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

3-Methylbenzo[1,2,4]triazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2N=N1

Technology Process of 3-Methylbenzo[1,2,4]triazine

There total 15 articles about 3-Methylbenzo[1,2,4]triazine 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: 90.0%

tert-butyl (E)-2-(2-acetamidophenyl)diazene-1-carboxylate → 3-methylbenzo[e][1,2,4]triazine (6299-94-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1055/s-0034-1378708

Reference yield: 69.0%

2-[(2-nitro-phenyl)-hydrazono]-propionic acid → 3-methylbenzo[e][1,2,4]triazine (6299-94-1)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; at 20 ℃;

DOI:10.1002/hc.20200

Reference yield: 60.0%

N,N'-diphenyl-C-methylformazan (4413-30-3) → 3-methylbenzo[e][1,2,4]triazine (6299-94-1)

Guidance literature:

With boron trifluoride; In acetic acid; for 0.166667h;

DOI:10.1016/0040-4020(82)80252-4

upstream raw materials:

acetic acid 2-(2-nitrophenyl)hydrazide

N,N'-diphenyl-C-methylformazan

N'-(2-aminophenyl)acetohydrazide

3-(2-acetamidophenyl)sydnone

Downstream raw materials:

1,2,3-Benzotriazole

3-methyl-1,2,4-benzotriazine-2-oxide

3-methyl-1,2,4-benzotriazine-1-oxide

3-methyl-1,2,4-benzotriazine-1,4-dioxide

Refernces

• 1、 Khodja, Mohamed,Moulay, Saad,Boutoumi, Hocine,Wilde, Horst. "Two-step syntheses of 3-methyl and 3-phenyl-1,2,4-benzotriazines". . p. 166 - 172. Retrieved 2007/10/03.
• 2、 Gelvin, Christopher R.,Turnbull, Kenneth. "Sydnones as Masked Hydrazines for Heterocycle Formation: Reactions of 3-(2-Substituted Phenyl)sydnones with HCl". . p. 1931 - 1943. Retrieved 2007/10/02.