4-Chloro-2-methylthiopyrimidine
- CAS NO.：49844-90-8
- Empirical Formula: C5H5ClN2S
- Molecular Weight: 160.62
- MDL number: MFCD00006083
- EINECS: 256-500-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-12 17:13:25
What is 4-Chloro-2-methylthiopyrimidine?
Chemical properties
Clear yellow to brown liquid
The Uses of 4-Chloro-2-methylthiopyrimidine
It finds it application as a building block used in medicinal chemistry synthesis. 4-Chloro-2-methylthiopyrimidine is used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It is also used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors.
The Uses of 4-Chloro-2-methylthiopyrimidine
4-Chloro-2-methylthiopyrimidine was used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It was used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors. It was used as building block in medicinal chemistry synthesis.
Properties of 4-Chloro-2-methylthiopyrimidine
| Melting point: | −2 °C(lit.) |
| Boiling point: | 139-140 °C36 mm Hg(lit.) |
| Density | 1.381 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| pka | -0.56±0.20(Predicted) |
| form | liquid |
| color | Colorless to Red to Green |
| Water Solubility | Not miscible or difficult to mix in water. |
| Sensitive | Hygroscopic |
| BRN | 118042 |
| CAS DataBase Reference | 49844-90-8(CAS DataBase Reference) |
Safety information for 4-Chloro-2-methylthiopyrimidine
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 4-Chloro-2-methylthiopyrimidine
| InChIKey | DFOHHQRGDOQMKG-UHFFFAOYSA-N |
4-Chloro-2-methylthiopyrimidine manufacturer
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product: 4-Chloro-2-methylthio pyrimidine 98%
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product: 4-Chloro-2-methylthio pyrimidine 98%
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