7-Methyl-3-phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

Base Information

Chemical Name:7-Methyl-3-phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
CAS No.:87450-81-5
Molecular Formula:C12H11N3OS
Molecular Weight:245.30000
Hs Code.:
DSSTox Substance ID:DTXSID80527341

Synonyms:87450-81-5;7-Methyl-3-phenyl-6,7-dihydro-4H-thiazolo[2,3-c][1,2,4]triazin-4-one;DTXSID80527341;7-Methyl-3-phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

Suppliers and Price of 7-Methyl-3-phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

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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 7-Methyl-3-phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

Chemical Property:

PSA：73.08000
LogP:1.79950
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:245.06228316
Heavy Atom Count:17
Complexity:399

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CN2C(=O)C(=NN=C2S1)C3=CC=CC=C3

Technology Process of 7-Methyl-3-phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

There total 4 articles about 7-Methyl-3-phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-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: 46.0%

: 344444-50-4
2-allyl-3-thio-6-phenyl-1,2,4-triazine-3,5(2H,4H)-dione

: 87450-88-2
2-Methyl-6-phenyl-2,3-dihydro-thiazolo[3,2-b][1,2,4]triazin-7-one

: 87450-81-5
7-Methyl-3-phenyl-6,7-dihydro-thiazolo[2,3-c][1,2,4]triazin-4-one

Guidance literature:: With 3-thio-4-allyl-6-phenyl-1,2,4-triazine-3,5(2H,4H)-dione; sulfuric acid; In formic acid; for 2h; Heating;
DOI:10.1021/jo00172a029

Reference yield: 4.0%

: 22943-19-7
3-thio-4-allyl-6-phenyl-1,2,4-triazine-3,5(2H,4H)-dione

: 87450-88-2
2-Methyl-6-phenyl-2,3-dihydro-thiazolo[3,2-b][1,2,4]triazin-7-one

: 87450-81-5
7-Methyl-3-phenyl-6,7-dihydro-thiazolo[2,3-c][1,2,4]triazin-4-one

Guidance literature:: With 2-allyl-3-thio-6-phenyl-1,2,4-triazine-3,5(2H,4H)-dione; sulfuric acid; In formic acid; for 1h; Heating;
DOI:10.1021/jo00172a029

Reference yield:

: 87450-65-5
3-(allythio)-6-phenyl-1,2,4-triazin-5(2H)-one

: 87450-81-5
7-Methyl-3-phenyl-6,7-dihydro-thiazolo[2,3-c][1,2,4]triazin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: PdCl₂(PhCN)2 / tetrahydrofuran / from RT to reflux

2: H₂SO₄, formic acid / Heating

With bis(benzonitrile)palladium(II) dichloride; formic acid; sulfuric acid; In tetrahydrofuran;