2,4-Dihydro-1h-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-one

Base Information

• Chemical Name: 2,4-Dihydro-1h-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-one
• CAS No.: 98827-47-5
• Molecular Formula: C9H7 N3 O S
• Molecular Weight: 205.24
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80243832
• Nikkaji Number: J488.994K
• Wikidata: Q83128009
• ChEMBL ID: CHEMBL460904
• Mol file: 98827-47-5.mol

Synonyms:1-oxo-2,4-dihydro-s-triazolo(3,4-c)(1,4)benzothiazine;IDPH 791;IDPH-791

Chemical Property of 2,4-Dihydro-1h-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 76.24000
• Density: 1.65g/cm³
• LogP: 1.57860
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 205.03098303
• Heavy Atom Count: 14
• Complexity: 304

Purity/Quality:

IDPH-791 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=NNC(=O)N2C3=CC=CC=C3S1

Technology Process of 2,4-Dihydro-1h-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-one

There total 1 articles about 2,4-Dihydro-1h-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-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: 82.0%

2H-1,4-benzothiazine-3(4H)-thione (22191-30-6) + ethylhydrazine carboxylate (4114-31-2) → Idph-791 (98827-47-5)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

Reference yield: 78.0%

4-methoxy-benzoyl chloride (100-07-2) + Idph-791 (98827-47-5) → 2-(4-Methoxy-benzoyl)-2,4-dihydro-5-thia-2,3,9b-triaza-cyclopenta[a]naphthalen-1-one (137391-08-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

Reference yield: 75.0%

benzoyl chloride (98-88-4) + Idph-791 (98827-47-5) → 2-Benzoyl-2,4-dihydro-5-thia-2,3,9b-triaza-cyclopenta[a]naphthalen-1-one (137391-07-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

upstream raw materials:

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

ethylhydrazine carboxylate

Downstream raw materials:

2-Benzoyl-2,4-dihydro-5-thia-2,3,9b-triaza-cyclopenta[a]naphthalen-1-one

2-(4-Methoxy-benzoyl)-2,4-dihydro-5-thia-2,3,9b-triaza-cyclopenta[a]naphthalen-1-one

2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-2,4-dihydro-5-thia-2,3,9b-triaza-cyclopenta[a]naphthalen-1-one

4H-2-benzoyloxymethyl-<1,2,4>triazolo<3,4-c><1,4>benzothiazin-1(2H)-one