2-Ethyl-2H-1,2-benzothiazin-3(4H)-one 1,1-dioxide

Base Information

• Chemical Name: 2-Ethyl-2H-1,2-benzothiazin-3(4H)-one 1,1-dioxide
• CAS No.: 28716-53-2
• Molecular Formula: C₁₀H₁₁NO₃S
• Molecular Weight: 225.268
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID60182876
• Nikkaji Number: J41.973G
• Wikidata: Q83053574
• Mol file: 28716-53-2.mol

Synonyms:2-Ethyl-2H-1,2-benzothiazin-3(4H)-one 1,1-dioxide;28716-53-2;2H-1,2-Benzothiazin-3(4H)-one, 2-ethyl-, 1,1-dioxide;BRN 0652867;DTXSID60182876

Chemical Property of 2-Ethyl-2H-1,2-benzothiazin-3(4H)-one 1,1-dioxide

Chemical Property:

• Vapor Pressure: 4.97E-06mmHg at 25°C
• Boiling Point: 381.7°Cat760mmHg
• Flash Point: 184.7°C
• PSA: 62.83000
• Density: 1.341g/cm³
• LogP: 1.79860
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 225.04596439
• Heavy Atom Count: 15
• Complexity: 357

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=O)CC2=CC=CC=C2S1(=O)=O

Technology Process of 2-Ethyl-2H-1,2-benzothiazin-3(4H)-one 1,1-dioxide

There total 3 articles about 2-Ethyl-2H-1,2-benzothiazin-3(4H)-one 1,1-dioxide 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:

(2-ethylsulfamoyl-phenyl)-acetic acid (27350-06-7) → 2-Aethyl-3,4-dihydro-2H-1,2-benzothiazinon-(3)-1,1-dioxid (28716-53-2)

Guidance literature:

With sodium acetate; In acetic acid; for 7h; Heating;

DOI:10.1002/cber.19701030638

Reference yield:

1,1-dioxo-1,4-dihydro-2H-1λ6-benzo[e][1,2]thiazin-3-one; potassium salt (31843-42-2) + ethyl iodide (75-03-6) → 2-Aethyl-3,4-dihydro-2H-1,2-benzothiazinon-(3)-1,1-dioxid (28716-53-2)

Guidance literature:

In N,N-dimethyl-formamide; at 60 - 65 ℃; for 4h;

DOI:10.1002/cber.19701030638

Reference yield:

→ 2-Aethyl-3,4-dihydro-2H-1,2-benzothiazinon-(3)-1,1-dioxid (28716-53-2)

Guidance literature:

Sulfamylessigsaeure;

upstream raw materials:

(2-ethylsulfamoyl-phenyl)-acetic acid

1,1-dioxo-1,4-dihydro-2H-1λ⁶-benzo[e][1,2]thiazin-3-one; potassium salt

ethyl iodide

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