| Identification | Back Directory | [Name]
4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE | [CAS]
33097-11-9 | [Synonyms]
ASISCHEM C51986
2-Aminomethylimidazoledihydrochloride
4,6-DICHLORO-2-(METHYLTHIO)-5-FORMYLPYRIMIDINE
2,4-Dichloro-5-formyl-2-(methylthio)pyrimidine
4,6-Dichloro-5-formyl-2-(methylthio)pyrimidine
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde
4,6-Dichloro-2-(methylthio)-5-pyrimidinecarbaldehyde
4,6-Dichloro-2-(methylthio)-5-pyrimidinecarboxaldehyde
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxaldehyde
2-(Methylthio)-4,6-dichloropyriMidine-5-carboxaldehyde
4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
4,6-Dichloro-2-Methylsulfamylpyrimidine-5-Carboxaldehyde
4,6-Dichloro-2-MethylsulfanylpyriMidine-5-carboxaldehyde | [Molecular Formula]
C6H4Cl2N2OS | [MDL Number]
MFCD00194954 | [MOL File]
33097-11-9.mol | [Molecular Weight]
223.08 |
| Chemical Properties | Back Directory | [Appearance]
Pale Yellow Solid | [Melting point ]
82-84°C | [Boiling point ]
327.7±37.0 °C(Predicted) | [density ]
1.57±0.1 g/cm3(Predicted) | [storage temp. ]
-20?C Freezer | [solubility ]
Chloroform, Ether, Ethyl Acetate | [form ]
Solid | [pka]
-6.47±0.39(Predicted) | [color ]
Pale Yellow | [InChI]
InChI=1S/C6H4Cl2N2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3 | [InChIKey]
MRHGOAKYYORQGQ-UHFFFAOYSA-N | [SMILES]
C1(SC)=NC(Cl)=C(C=O)C(Cl)=N1 |
| Hazard Information | Back Directory | [Chemical Properties]
Pale Yellow Solid | [Uses]
4,6-Dichloro-2-(methylthio)-5-formylpyrimidine (cas# 33097-11-9) is a compound useful in organic synthesis. | [Synthesis]
The general procedure for the synthesis of 4,6-dichloro-2-methylthiopyrimidine-5-carbaldehyde from 4,6-dihydroxy-2-methylthiopyrimidine was as follows: the reaction system was cooled down to 0-10 °C and then slowly warmed up to room temperature. Subsequently, 6-hydroxy-2-(methylthio)-4(1H)-pyrimidinone (25 g, 0.16 mol) was added in batches. The reaction mixture was heated and reacted at 80 °C overnight. After completion of the reaction, the reaction mixture was concentrated under vacuum. The concentrated slurry residue was poured into ice and stirred continuously for about 2 hours, after which filtration was performed to obtain the crude product. The crude product was further purified by recrystallization with hexane to afford finally 4,6-dichloro-2-(methylthio)-5-pyrimidinecarboxaldehyde (21.3 g, 61% yield). The structure of the product was confirmed by 1H-NMR (CDCl3): δ 2.66 (s, 3H), 10.4 (s, 1H). | [References]
[1] Patent: WO2006/104889, 2006, A2. Location in patent: Page/Page column 113-114
[2] Patent: WO2007/147103, 2007, A2. Location in patent: Page/Page column 107-108 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-43 | [Safety Statements ]
36/37 | [WGK Germany ]
3 | [HS Code ]
2933599590 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Skin Sens. 1 |
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