| Identification | More | [Name]
4,6-Dimethyl-2-mercaptopyrimidine | [CAS]
22325-27-5 | [Synonyms]
2-MERCAPTO-4,6-DIMETHYLPYRIMIDINE
4,6-DIMETHYL-2-MERCAPTOPYRIMIDINE
4,6-DIMETHYL-2-PYRIMIDINETHIOL
4,6-DIMETHYL-2-THIOLPYRIMIDINE
4,6 DIMETHYL-4-MERCAPTOPYRIMIDINE
4,6-DIMETHYLPYRIMIDINE-2-THIOL
AKOS AU-SVL-0100
AKOS BBS-00007056
DLMP
LABOTEST-BB LT00143473
TIMTEC-BB SBB007591
4,6-dimethyl-2(1h)-pyrimidinethion
4,6-dimethyl-2(1h)-pyrimidinethione
4,6-Dimethyl-2-Mercarptopyrimidine
4,6-dimethylpyrimidine-2-thione
2-Mercapto-4,6-dimethylpyrimidine hydrate
4,6-dimethyl-2-sulfhydyl-pyrimidine
2(1H)-Pyrimidinethione, 4,6-dimethyl-(7CI, 8CI, 9CI)
4,6-Dimethyl-2-Mercatopyrimidine
4,6-Dimethyl-2-Mercaptopyrimid | [EINECS(EC#)]
244-911-3 | [Molecular Formula]
C6H8N2S | [MDL Number]
MFCD00006079 | [Molecular Weight]
140.21 | [MOL File]
22325-27-5.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellow fine crystalline powder | [Melting point ]
213-216 °C (dec.)(lit.)
| [Boiling point ]
212.9±23.0 °C(Predicted) | [density ]
1.160 (estimate) | [refractive index ]
1.5047 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
8.46±0.10(Predicted) | [color ]
White to Yellow | [Detection Methods]
HPLC,NMR,MS | [BRN ]
81330 | [InChI]
InChI=1S/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9) | [InChIKey]
RAFAYWADRVMWFA-UHFFFAOYSA-N | [SMILES]
C1(=S)NC(C)=CC(C)=N1 | [CAS DataBase Reference]
22325-27-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
UW5650000
| [HS Code ]
29335995 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow fine crystalline powder | [Uses]
4,6-Dimethyl-2-mercaptopyrimidine is used in the synthesis of pharmaceutical and pesticide intermediates. | [Synthesis Reference(s)]
Tetrahedron Letters, 37, p. 2035, 1996 DOI: 10.1016/0040-4039(96)00211-0 | [Synthesis]
Thiourea (19 g, 0.25 mol) and acetylacetone (25.8 mL, 0.25 mol) were mixed in 125 mL of ethanol in a reaction flask. The reaction mixture was refluxed in a water bath for 2 hours. After cooling slightly, 33.5 mL of concentrated hydrochloric acid was added slowly through a funnel and the reflux heating was continued until the reaction was completed. At the end of the reaction, yellow crystals were obtained by filtration. After removing the solvent, the remaining solution was heated and dissolved with 10% NaOH solution. The pH of the solution was adjusted to about 7, and then cooled at room temperature to obtain 4,6-dimethylpyrimidine-2-thiol as pale yellow acicular crystals with 80.22% yield and melting point of 209-211 °C (literature value 210 °C). | [References]
[1] Bollettino chimico farmaceutico, 2004, vol. 143, # 7, p. 275 - 279
[2] Patent: CN105585538, 2016, A. Location in patent: Paragraph 0024
[3] Patent: CN105859693, 2016, A. Location in patent: Paragraph 0021
[4] Patent: CN105622599, 2016, A. Location in patent: Paragraph 0022
[5] Zeitschrift fur Anorganische und Allgemeine Chemie, 2015, vol. 641, # 7, p. 1301 - 1306 |
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