| Identification | More | [Name]
Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione | [CAS]
58909-39-0 | [Synonyms]
2-AMINOPROPYL-4(7)-AZO-BENZIMIDAZOLE
2,5-Dihydro-6-hydroxy-3-mercapto-2-methyl-1,2,4-triazine-5-one
TTZ,TTA,OHMMT
Thiotriazinone(TTZ)
3-MERCAPTO-2-METHYL-5-OXO-6-HYDROXY-1,2,4-TRIAZINE[TTZ,OHMMT]
2,5-DIHYDRO-3-MERCAPTO-2-METHYL-5-OXO-6-HYDROXY-1,2,4-TRIAZINE
Thiotriazinone, 98+%
2,5-DIHYDRO-3-MERCAPTO-2-METHYL-5-OXO-6-HYDROXY-1,2,4-TRIAZINE/TTZ
THIOTRIAZINONE/2,5-DIHYDRO-6-HYDROXY-3-MERCAPTO-2-METHYL-5-OXO-1,2,4-TRIAZINE
2-METHYL-3-THIOXOHEXAHYDRO-1,2,4-TRIAZINE-5,6-DIONE(THIOTRIAZINONE)
1,2,4-Triazine-5,6-dione,tetrahydro-2-methyl-3-thioxo-
2-Methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazine-3-thiol
2,5-Dihydro-6-hydroxy-2-methyl-3-mercapto-5-oxo-1,2,3-triazine
2,5-Dihydro-6-hydroxy-2-methyl-3-mercapto-5-oxo-1,2,4-triazione
3-Mercapto-2-methyl-5-oxo-6-hydroxy-1,2,4-triazine
Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione
THIOTRIAZINONE (3-MERCAPTO-2-METHYL-5-OXO-6-HYDROXY-1,2,4-TRIAZINE)
2-METHYL-3-THIOXO-1,2,5,6-TETRAHYDRO-5,6-DIOXO-1,2,4-TRIAZINE
2-METHYL-5,6-DIOXO-1,2,5,6-TETRAHYDRO-1,2,4-TRIAZINE-3-THIOLCEFATRIAXONE
2-Methyl-3-thioxo-1,2,3,4-tetrahydro-1,2,4-triazine-5,6-dione | [EINECS(EC#)]
261-490-1 | [Molecular Formula]
C4H5N3O2S | [MDL Number]
MFCD06410922 | [Molecular Weight]
159.17 | [MOL File]
58909-39-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
168-171 °C (lit.) | [density ]
1.62±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
DMSO (Sparingly), Methanol (Slightly) | [form ]
Solid | [pka]
5.34±0.20(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C4H5N3O2S/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H,6,9)(H,5,8,10) | [InChIKey]
UMWWHOXOVPIGFD-UHFFFAOYSA-N | [SMILES]
N1C(=O)C(=O)NC(=S)N1C | [CAS DataBase Reference]
58909-39-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
29336990 |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Uses]
Thiotriazinone can be used in the preparation of Cefalosporins.
| [General Description]
Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione is an intermediate for synthesizing ceftriaxone. | [Synthesis]
General procedure for the synthesis of triazine ring from 2-methylaminothiourea and diethyl oxalate: 2-methylaminothiourea, mixed solvent (1:3 mass ratio of methanol to DMSO), diethyl oxalate and sodium methanolate were added to the reactor in the mass ratio 1:10:4:10. The cyclization reaction was carried out in the temperature range of 0-45°C. Upon completion of the reaction, acidification was carried out with hydrochloric acid in an amount of 30% by mass of 2-methylaminothiourea. Subsequently, the reaction mixture was filtered and dried to give the triazine ring in 91.6% yield. The purity of the product was assayed by HPLC and the by-product content was 0.0005% (5 ppm). The product was calculated as M (triazine ring) / [M (methylaminothiourea) * 159.17 / 105.16]. | [References]
[1] Patent: CN104177305, 2017, B. Location in patent: Paragraph 0022; 0023; 0024; 0025; 0026; 0027; 0028-0031 |
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