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| | 4,6-Dichloro-5-methoxypyrimidine Basic information |
| Product Name: | 4,6-Dichloro-5-methoxypyrimidine | | Synonyms: | 2,4-dimethoxy-2-methylmercapyrimidine;4,6-Dichlor-5-methoxypyrimidin;4,6-DICHLORO-5-METHOXYPYRIMIDINE;4,6-DICHLORO-5-METHOXYPYRIMIDINE 99%;Pyrimidine, 4,6-dichloro-5-methoxy-;2,4-Dichloro-5-MetoxyPyriMidine;5-Methoxy-4,6-dichloropyriMidine;4,6-Dichloro-5-methoxy-1,3-diazine | | CAS: | 5018-38-2 | | MF: | C5H4Cl2N2O | | MW: | 179 | | EINECS: | 225-699-1 | | Product Categories: | Heterocycle-Pyrimidine series;Halides;Pyrazines, Pyrimidines & Pyridazines;Pyrimidine Derivertives;Pyrimidine series;APIs & Intermediate;Pyrimidine | | Mol File: | 5018-38-2.mol |  |
| | 4,6-Dichloro-5-methoxypyrimidine Chemical Properties |
| Melting point | 54-58 °C | | Boiling point | 257.8±35.0 °C(Predicted) | | density | 1.446±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | Chloroform (Slightly), Dichloromethane (Slightly) | | form | Solid | | pka | -4.13±0.26(Predicted) | | color | White | | InChI | InChI=1S/C5H4Cl2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3 | | InChIKey | IJQIGKLDBGKSNT-UHFFFAOYSA-N | | SMILES | C1=NC(Cl)=C(OC)C(Cl)=N1 | | CAS DataBase Reference | 5018-38-2(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 22-41 | | Safety Statements | 26-39 | | WGK Germany | 3 | | HS Code | 2933599590 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1 |
| | 4,6-Dichloro-5-methoxypyrimidine Usage And Synthesis |
| Chemical Properties | Off-white solid | | Uses | 4,6-Dichloro-5-methoxypyrimidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. | | Synthesis | Example 3.2 Preparation of 4,6-dichloro-5-methoxypyrimidine: 5-methoxypyrimidine-4,6-diol (96.0 g, 676 mmol) and triethylamine (95.0 mL, 680 mmol) were suspended in anhydrous toluene (1.2 L) and heated to 100-105°C. A solution of anhydrous toluene (200 mL) with trichlorophosphate (140 mL, 1.5 mol) was added slowly and dropwise over 30 min. The reaction mixture was refluxed for 1 hour and cooled to room temperature. The toluene layer was decanted and ice water was added to the residue. The heavier black oil layer was separated, dilution was continued with ice water, and the mixture was extracted with toluene (2 x 200 mL). The toluene extracts were combined and the aqueous layer discarded. The organic phase was washed sequentially with saturated sodium bicarbonate solution (2×300 mL), saturated saline (400 mL), dried over anhydrous magnesium sulfate, and concentrated under reduced pressure to afford the title compound 4,6-dichloro-5-methoxypyrimidine (103.4 g, 86% yield) as a white solid.1H NMR (CDCl3) δ 4.00 (s, 3H), 8.55 (s, 1H). | | References | [1] Patent: US2009/286816, 2009, A1. Location in patent: Page/Page column 12
[2] Patent: EP714896, 1996, A1
[3] Patent: US2006/52398, 2006, A1. Location in patent: Page/Page column 39
[4] Patent: US5300506, 1994, A
[5] Patent: US5077293, 1991, A |
| | 4,6-Dichloro-5-methoxypyrimidine Preparation Products And Raw materials |
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