1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

Base Information

• Chemical Name: 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
• CAS No.: 93299-87-7
• Molecular Formula: C₁₅H₁₁N₃S
• Molecular Weight: 265.338
• DSSTox Substance ID: DTXSID00918535
• Wikidata: Q82890676
• ChEMBL ID: CHEMBL1893273
• Mol file: 93299-87-7.mol

Synonyms:1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine;93299-87-7;BRN 4479266;1-Phenyl-4H-s-triazolo(3,4-c)(1,4)benzothiazine;4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 1-phenyl-;4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 1-phenyl-;Maybridge3_003027;MLS000859705;CHEMBL1893273;DTXSID00918535;HMS1439J13;HMS2805C12;CCG-238864;IDI1_014414;SMR000459084;SR-01000003559;SR-01000003559-1

Chemical Property of 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 265.06736854
• Heavy Atom Count: 19
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=NN=C(N2C3=CC=CC=C3S1)C4=CC=CC=C4

Technology Process of 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

There total 9 articles about 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine 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%

benzoic acid 2-(2H-1,4-benzothiazin-3-yl)-hydrazide (78959-08-7) → 1-Phenyl-4H-5-thia-2,3,9b-triaza-cyclopenta[a]naphthalene (93299-87-7)

Guidance literature:

In ethylene glycol; for 1h; Heating;

Reference yield: 70.0%

2H-1,4-benzothiazine-3(4H)-thione (22191-30-6) + benzoic acid hydrazide (613-94-5) → 1-Phenyl-4H-5-thia-2,3,9b-triaza-cyclopenta[a]naphthalene (93299-87-7)

Guidance literature:

In butan-1-ol; for 10h; Heating;

Reference yield: 70.0%

3-(methylthio)-2H-1,4-benzothiazine (72223-33-7) + benzoic acid hydrazide (613-94-5) → 1-Phenyl-4H-5-thia-2,3,9b-triaza-cyclopenta[a]naphthalene (93299-87-7)

Guidance literature:

In butan-1-ol; for 10h; Heating;

upstream raw materials:

benzoic acid 2-(2H-1,4-benzothiazin-3-yl)-hydrazide

3-(methylthio)-2H-1,4-benzothiazine

benzoic acid hydrazide

2H-1,4-benzothiazine-3(4H)-thione