N'-(2H-1,4-benzothiazin-3-yl)-2,4-dichlorobenzohydrazide

Base Information

• Chemical Name: N'-(2H-1,4-benzothiazin-3-yl)-2,4-dichlorobenzohydrazide
• CAS No.: 78959-11-2
• Molecular Formula: C₁₅H₁₁Cl₂N₃OS
• Molecular Weight: 352.244
• DSSTox Substance ID: DTXSID80229414
• Wikidata: Q83109648
• Mol file: 78959-11-2.mol

Synonyms:78959-11-2;N'-(2H-1,4-benzothiazin-3-yl)-2,4-dichlorobenzohydrazide;BRN 4710130;Benzoic acid, 2,4-dichloro-, 2-(2H-1,4-benzothiazin-3-yl)hydrazide;2,4-Dichlorobenzoic acid 2-(2H-1,4-benzothiazin-3-yl)hydrazide;DTXSID80229414;LS-36774

Chemical Property of N'-(2H-1,4-benzothiazin-3-yl)-2,4-dichlorobenzohydrazide

Chemical Property:

• Melting Point: 249 °C(Solv: ethanol (64-17-5))
• PKA: 9.98±0.20(Predicted)
• PSA: 82.28000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 4.46500
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 350.9999885
• Heavy Atom Count: 22
• Complexity: 449

Purity/Quality:

BENZOIC ACID, 2,4-DICHLORO-, 2-(2H-1,4-BENZOTHIAZIN-3-YL)HYDRAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=NC2=CC=CC=C2S1)NNC(=O)C3=C(C=C(C=C3)Cl)Cl

Technology Process of N'-(2H-1,4-benzothiazin-3-yl)-2,4-dichlorobenzohydrazide

There total 2 articles about N'-(2H-1,4-benzothiazin-3-yl)-2,4-dichlorobenzohydrazide 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: 53.0%

3-(methylthio)-2H-1,4-benzothiazine (72223-33-7) + 2,4-dichlorobenzohydrazide (5814-06-2) → 2,4-dichloro-benzoic acid 2-(2H-1,4-benzothiazin-3-yl)-hydrazide (78959-11-2)

Guidance literature:

In ethanol; Ambient temperature;

Reference yield:

2H-1,4-benzothiazin-3-one (5325-20-2) → 2,4-dichloro-benzoic acid 2-(2H-1,4-benzothiazin-3-yl)-hydrazide (78959-11-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / P₂S₅/Et₃N / acetonitrile

2: K₂CO₃ / acetone / 8 h / Heating

3: 53 percent / ethanol / Ambient temperature

With tetraphosphorus decasulfide; potassium carbonate; triethylamine; In ethanol; acetone; acetonitrile;

upstream raw materials:

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

2,4-dichlorobenzohydrazide

2H-1,4-benzothiazin-3-one