3H-Pyrazol-3-one, 2,4-dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl)-5-methyl-, S,S-dioxide

Base Information

Chemical Name:3H-Pyrazol-3-one, 2,4-dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl)-5-methyl-, S,S-dioxide
CAS No.:107089-86-1
Molecular Formula:C₁₃H₁₄N₄O₃S
Molecular Weight:306.345
Hs Code.:
DSSTox Substance ID:DTXSID60147905
Wikidata:Q83013332
Mol file:107089-86-1.mol

Synonyms:BRN 5609120;3H-Pyrazol-3-one, 2,4-dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl)-5-methyl-, S,S-dioxide;2,4-Dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl)-5-methyl-3H-pyrazol-3-one S,S-dioxide;107089-86-1;DTXSID60147905;LS-129056

Suppliers and Price of 3H-Pyrazol-3-one, 2,4-dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl)-5-methyl-, S,S-dioxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3H-Pyrazol-3-one, 2,4-dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl)-5-methyl-, S,S-dioxide

Chemical Property:

Vapor Pressure:2.6E-09mmHg at 25°C
Boiling Point:478.3°Cat760mmHg
Flash Point:243.1°C
Density:1.5g/cm³
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:306.07866149
Heavy Atom Count:21
Complexity:620

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C2=CC=CC=C2S(=O)(=O)N=C1N3C(=O)CC(=N3)C

Technology Process of 3H-Pyrazol-3-one, 2,4-dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl)-5-methyl-, S,S-dioxide

There total 3 articles about 3H-Pyrazol-3-one, 2,4-dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl)-5-methyl-, S,S-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: 53.0%

: 141-97-9
ethyl acetoacetate

: 107089-80-5
3-hydrazino-4-ethyl-4H-1,2,4-benzothiadiazine 1,1-dioxide

: 107089-86-1
2-(4-Ethyl-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-5-methyl-2,4-dihydro-pyrazol-3-one

Guidance literature:: With hydrogenchloride; In ethanol; for 4h; Heating;

Reference yield:

: 102308-74-7
4-ethyl-2H-1,2,4-benzothiadiazine-3 (4H)-one 1,1-dioxide

: 107089-86-1
2-(4-Ethyl-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-5-methyl-2,4-dihydro-pyrazol-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / PCl₅ / 1.5 h / 200 - 210 °C

2: 86 percent / hydrazine hydrate (98percent) / CHCl₃ / 0.5 h / Ambient temperature

3: 53 percent / hydrochloric acid / ethanol / 4 h / Heating

With hydrogenchloride; phosphorus pentachloride; hydrazine hydrate; In ethanol; chloroform;

Reference yield:

: 107089-77-0
NSC 373854

: 107089-86-1
2-(4-Ethyl-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-5-methyl-2,4-dihydro-pyrazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / hydrazine hydrate (98percent) / CHCl₃ / 0.5 h / Ambient temperature

2: 53 percent / hydrochloric acid / ethanol / 4 h / Heating

With hydrogenchloride; hydrazine hydrate; In ethanol; chloroform;