Methyl 1-(3-fluorophenyl)-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxylate

Base Information Edit

Chemical Name:Methyl 1-(3-fluorophenyl)-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxylate
CAS No.:81761-79-7
Molecular Formula:C₁₈H₁₄FN₃O₄S
Molecular Weight:387.391
Hs Code.:
ChEMBL ID:CHEMBL2326937
DSSTox Substance ID:DTXSID201104942
Mol file:81761-79-7.mol

Synonyms:CHEMBL2326937;DTXSID201104942;methyl 1-(3-fluorophenyl)-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxylate;81761-79-7;Pyrazolo[4,3-c][1,2]benzothiazine-3-carboxylic acid, 1-(3-fluorophenyl)-1,4-dihydro-4-methyl-, methyl ester, 5,5-dioxide

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

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Chemical Property of Methyl 1-(3-fluorophenyl)-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxylate Edit

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:387.06890527
Heavy Atom Count:27
Complexity:685

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C2=C(C3=CC=CC=C3S1(=O)=O)N(N=C2C(=O)OC)C4=CC(=CC=C4)F

Technology Process of Methyl 1-(3-fluorophenyl)-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxylate

There total 3 articles about Methyl 1-(3-fluorophenyl)-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxylate 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: 70.0%

: 81761-73-1
2-methyl-3,4-dihydro-3-carbomethoxycarbonyl-2H<1,2>benzotiazin-4-one-1,1-dioxide

: 658-27-5
m-fluorophenylhydrazine

: 81761-79-7
1-(3-Fluoro-phenyl)-4-methyl-5,5-dioxo-4,5-dihydro-1H-5λ⁶-thia-1,2,4-triaza-cyclopenta[a]naphthalene-3-carboxylic acid methyl ester

Guidance literature:: In methanol; for 5h; Heating;

Reference yield:

: 5510-10-1
2-methyl-2H-1,2-benzothiazine-4-(3H)-one-1,1-dioxyde

: 81761-79-7
1-(3-Fluoro-phenyl)-4-methyl-5,5-dioxo-4,5-dihydro-1H-5λ⁶-thia-1,2,4-triaza-cyclopenta[a]naphthalene-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 62.3 percent / sodium / benzene; methanol / 3 h / Ambient temperature

2: 70 percent / methanol / 5 h / Heating

With sodium; In methanol; benzene;