7H-Thiazolo[4,5-d][1,3]oxazin-7-one, 2-(methylthio)-5-(4-nitrophenyl)-

Base Information

Chemical Name:7H-Thiazolo[4,5-d][1,3]oxazin-7-one, 2-(methylthio)-5-(4-nitrophenyl)-
CAS No.:147235-64-1
Molecular Formula:C12H7N3O4S2
Molecular Weight:321.337
Hs Code.:
DSSTox Substance ID:DTXSID40455196
Wikidata:Q82277105
Mol file:147235-64-1.mol

Synonyms:147235-64-1;7H-Thiazolo[4,5-d][1,3]oxazin-7-one, 2-(methylthio)-5-(4-nitrophenyl)-;DTXSID40455196

Suppliers and Price of 7H-Thiazolo[4,5-d][1,3]oxazin-7-one, 2-(methylthio)-5-(4-nitrophenyl)-

Supply Marketing:

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

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Chemical Property of 7H-Thiazolo[4,5-d][1,3]oxazin-7-one, 2-(methylthio)-5-(4-nitrophenyl)-

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:320.98779806
Heavy Atom Count:21
Complexity:474

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=NC2=C(S1)C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 7H-Thiazolo[4,5-d][1,3]oxazin-7-one, 2-(methylthio)-5-(4-nitrophenyl)-

There total 4 articles about 7H-Thiazolo[4,5-d][1,3]oxazin-7-one, 2-(methylthio)-5-(4-nitrophenyl)- 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: 64.0%

: 2-Methylsulfanyl-4-(4-nitro-benzoylamino)-thiazole-5-carboxylic acid ethyl ester

: 147235-64-1
6-methylthio-2-(4-nitrophenyl)thiazolo<4,5-d><3,1>oxazin-4-one

Guidance literature:: With 1,2-dibromo-1,1,2,2-tetrachloroethane; triethylamine; triphenylphosphine; In toluene; for 4h; Heating;
DOI:10.1055/s-1993-25810

Reference yield: 43.0%

: 122-04-3
4-nitro-benzoyl chloride

: 147235-59-4
ethyl 2-methylthio-4-[(triphenylphosphanylidene)amino]thiazole-5-carboxylate

: 147235-64-1
6-methylthio-2-(4-nitrophenyl)thiazolo<4,5-d><3,1>oxazin-4-one

Guidance literature:: With pyridine; In acetonitrile; for 1h; Heating;
DOI:10.1016/S0040-4020(01)86261-X

Reference yield:

: 39736-29-3
ethyl 4-amino-2-(methylthio)thiazol-5-carboxylate

: 147235-64-1
6-methylthio-2-(4-nitrophenyl)thiazolo<4,5-d><3,1>oxazin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 53 percent / pyridine / acetonitrile / 2 h / Ambient temperature

2: 64 percent / Ph₃P, BrCl₂C-CCl₂Br, Et₃N / toluene / 4 h / Heating

With pyridine; 1,2-dibromo-1,1,2,2-tetrachloroethane; triethylamine; triphenylphosphine; In toluene; acetonitrile;
DOI:10.1055/s-1993-25810