- 2,4,5-Trichloropyrimidine
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- $5.00 / 1KG
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2025-09-25
- CAS:5750-76-5
- Min. Order: 1KG
- Purity: 98%
- Supply Ability: g-kg-tons, free sample is available
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| | 2,4,5-Trichloropyrimidine Basic information |
| Product Name: | 2,4,5-Trichloropyrimidine | | Synonyms: | 2,4,5-TRICHLOROPYRIMIDINE;2,5,6-TRICHLOROPYRIMIDINE;2,4,5-TRICHLOROPYRIMIDINE, 97+%;2,4,5-Trichloropyrimidine, 99+%;2,4,5-Trichloropyrimidine ,98%;2,4,5-Trichloro-1,3-diazine;2,4,5-three chloropyriMidine;2,4,5-TrichL | | CAS: | 5750-76-5 | | MF: | C4HCl3N2 | | MW: | 183.42 | | EINECS: | 628-281-0 | | Product Categories: | Heterocycle-Pyrimidine series;Pyrimidine series;Halogenated;Organohalides;Pyrazines, Pyrimidines & Pyridazines;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrimidines;PyrimidinesHeterocyclic Building Blocks;Heterocycles;pharmacetical;Halides;Pyrazines, Pyrimidines & Pyridazines;Pyrimidine;bc0001 | | Mol File: | 5750-76-5.mol |  |
| | 2,4,5-Trichloropyrimidine Chemical Properties |
| Boiling point | 84°C 1mm | | density | 1.6001 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.574(lit.) | | Fp | >230 °F | | storage temp. | Inert atmosphere,Store in freezer, under -20°C | | pka | -4.26±0.29(Predicted) | | form | clear liquid | | color | Colorless to Light orange to Yellow | | Water Solubility | Not miscible or difficult to mix in water. | | BRN | 4449 | | InChI | InChI=1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H | | InChIKey | GIKMWFAAEIACRF-UHFFFAOYSA-N | | SMILES | C1(Cl)=NC=C(Cl)C(Cl)=N1 | | CAS DataBase Reference | 5750-76-5(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | RIDADR | 3267 | | WGK Germany | 3 | | Hazard Note | Irritant | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29335990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,4,5-Trichloropyrimidine Usage And Synthesis |
| Chemical Properties | Colorless to pale yellow liquid | | Uses | 2,4,5-Trichloropyrimidine is used in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment. Also used in the synthesis of EGFR inhibitors. | | Synthesis | General procedure for the synthesis of 2,4,5-trichloropyrimidine from 5-chlorouracil: 5-chlorouracil (4.5 g, 30.82 mmol) was dissolved in phosphorochloridic acid (100 mL), followed by phosphorus pentachloride (19.2 g, 92.46 mmol). The reaction mixture was heated to reflux overnight; after completion of the reaction, it was cooled to room temperature and the solvent was removed by evaporation under reduced pressure. The residue was cooled to 0 °C and crushed ice was added slowly. The mixture was stirred for 10 min and partitioned between water and dichloromethane (DCM). The organic phase was separated and washed three times with water. The aqueous layer was combined and extracted twice with DCM. The combined organic extracts were dried over anhydrous sodium sulfate (Na2SO4), filtered and the solvent was evaporated under reduced pressure to give 2,4,5-trichloropyrimidine as a yellow oil, which did not require further purification. | | References | [1] Patent: WO2008/28860, 2008, A1. Location in patent: Page/Page column 45
[2] Patent: US2006/25433, 2006, A1. Location in patent: Page/Page column 108
[3] Patent: US4299961, 1981, A
[4] Patent: WO2008/79719, 2008, A1. Location in patent: Page/Page column 43-44; 47-48; 49; 51
[5] Patent: WO2007/120339, 2007, A1. Location in patent: Page/Page column 39-42 |
| | 2,4,5-Trichloropyrimidine Preparation Products And Raw materials |
| Raw materials | 5-Chlorouracil-->Disulfur dichloride | | Preparation Products | 2,5-dichloro-4-(methylthio)pyrimidine-->2,5-Dichloro-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine-->2,5-dichloro-4-ethoxypyriMidine-->1-(2,5-DichloropyriMidin-4-yl)-1H-indole-->2,5-Dichloro-4-(4-methoxyphenoxy)pyrimidine-->Methyl 4-(2,5-Dichloro-4-pyrimidinyl)benzoate-->1-(2,5-Dichloropyrimidin-4-yl)-1H-benzo[d]imidazole-->BenzaMide, 2-[(2,5-dichloro-4-pyriMidinyl)aMino]--->4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]--->BenzenesulfonaMide, 2-[(2,5-dichloro-4-pyriMidinyl)aMino]-N-Methyl--->2-(2,5-dichloropyrimidin-4-ylamino)-N,N-dimethylbenzenesulfonamide-->C12H10Cl2N4O |
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