| Identification | More | [Name]
4-Amino-6-chloro-2-(methylthio)pyrimidine | [CAS]
1005-38-5 | [Synonyms]
2-METHYLMERCAPTO-4-AMINO-AMINO-6-CHLOROPYRIMIDINE
4-AMINO-6-CHLORO-2-METHYLMERCAPTOPYRIMIDINE
4-AMINO-6-CHLORO-2-(METHYLTHIO)PYRIMIDINE
6-AMINO-4-CHLORO-2-METHYLMERCAPTOPYRIMIDINE
6-CHLORO-2-(METHYLTHIO)PYRIMIDIN-4-AMINE
TIMTEC-BB SBB003786
4-Pyrimidinamine, 6-chloro-2-(methylthio)-
6-Chloro-2-(methylsulfanyl)-4-pyrimidinylamine
U 8342
6-chloro-2-methylthiopyrimidin-4-ylamine
4-AMINO-6-CHLORO-2-METHYLMERCAPTOPYRIMIDINE 97%
4-Amino-6-chloro-2-methylmercaptopyrimidine ,98%
2-(Methylthio)-6-chloropyrimidine-4-amine
6-Chloro-2-methylthio-4-pyrimidinamine | [EINECS(EC#)]
213-734-3 | [Molecular Formula]
C5H6ClN3S | [MDL Number]
MFCD00006088 | [Molecular Weight]
175.64 | [MOL File]
1005-38-5.mol |
| Chemical Properties | Back Directory | [Appearance]
off-white to beige or yellow crystalline powder | [Melting point ]
130-132 °C (lit.) | [Boiling point ]
338.7±22.0 °C(Predicted) | [density ]
1.395 (estimate) | [refractive index ]
1.6100 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [pka]
1.11±0.10(Predicted) | [color ]
Off-white to beige or yellow | [Detection Methods]
HPLC,NMR | [InChI]
1S/C5H6ClN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9) | [InChIKey]
ISUXMAHVLFRZQU-UHFFFAOYSA-N | [SMILES]
CSc1nc(N)cc(Cl)n1 | [CAS DataBase Reference]
1005-38-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Pyrimidine, 4-amino-6-chloro-2-(methylthio)-(1005-38-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [HS Code ]
29335990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
off-white to beige or yellow crystalline powder | [Synthesis Reference(s)]
Journal of the American Chemical Society, 77, p. 1098, 1955 DOI: 10.1021/ja01610a006 | [Synthesis]
General procedure for the synthesis of 4-amino-6-chloro-2-(methylthio)pyrimidine from 4,6-dichloro-2-(methylthio)pyrimidine:
1. 4,6-Dichloro-2-(methylthio)pyrimidine was added slowly in a 2L autoclave with THF and ammonia.
2. The reaction mixture was heated to 50-60°C and kept at that temperature for 3-4 hours (pressure in the reactor was maintained at 7-8 Kg/cm2).
3. The progress of the reaction was monitored by TLC.
4. After completion of the reaction, the reaction mixture was cooled to 25-35°C. 5.
5. Concentrate the reaction mixture under vacuum. 6.
6. Hexane was added and stirred at 25-35 °C for 30-45 min.
7. Collect the solid product by filtration and wash with hexane.
8. Wash the solid product with water (2 x 400 mL).
9. Dry the solid product at 25-35 °C until the moisture content (MC) is less than 2%.
Yield: 352.0 g. Yield: 97.77%.
HPLC purity: 99.07%.
Note: For different analogs, other suitable conditions may be used, such as the use of methanol or dioxane solutions of ammonia.
Example 1-2: Preparation of 4-amino-6-chloro-2-methylthiopyrimidine, step 6.1. | [References]
[1] Patent: WO2011/97594, 2011, A2. Location in patent: Page/Page column 100-101
[2] Chemistry - A European Journal, 1999, vol. 5, # 12, p. 3450 - 3458
[3] Patent: WO2007/141571, 2007, A2. Location in patent: Page/Page column 25
[4] American Chemical Journal, 1904, vol. 32, p. 353
[5] Patent: US2005/288502, 2005, A1. Location in patent: Page/Page column 20 |
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