5-Amino-4,6-dichloro-2-methylpyrimidine CAS 39906-04-2

Introduction：Basic information about 5-Amino-4,6-dichloro-2-methylpyrimidine CAS 39906-04-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

5-Amino-4,6-dichloro-2-methylpyrimidine Basic information

• Product Name: 5-Amino-4,6-dichloro-2-methylpyrimidine
• Synonyms: 2-METHYL-4,6-DICHLORO-5-AMINOPYRIMIDINE;TIMTEC-BB SBB003764;5-AMINO-4,6-DICHLORO-2-METHYLPYRIMIDINE;4,6-DICHLORO-2-METHYLPYRIMIDIN-5-AMINE;4,6-DICHLORO-2-METHYL-PYRIMIDIN-5-YLAMINE;2-Methyl-4,6-dichloro-5-aminop;2-methyl-4,6-dichloro-5-aminopyrimidine (intermediate of moxonidine hcl);5-Amino-4,6-Dichloro-2-Methylpytimidine
• CAS: 39906-04-2
• MF: C5H5Cl2N3
• MW: 178.02
• EINECS: 419-110-9
• Product Categories: Pyridines, Pyrimidines, Purines and Pteredines;Pyrimidine;(intermediate of moxonidine hcl);(intermediate of moxonidine);39906-04-2;OLED
• Mol File: 39906-04-2.mol

5-Amino-4,6-dichloro-2-methylpyrimidine Chemical Properties

• Melting point: 70-73 °C (lit.)
• Boiling point: 257.7±35.0 °C(Predicted)
• density: 1.504±0.06 g/cm3(Predicted)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: soluble in Methanol
• form: powder to crystal
• pka: -2.55±0.39(Predicted)
• color: White to Yellow to Green
• InChI: InChI=1S/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H3
• InChIKey: FKRXXAMAHOGYNT-UHFFFAOYSA-N
• SMILES: C1(C)=NC(Cl)=C(N)C(Cl)=N1
• CAS DataBase Reference: 39906-04-2(CAS DataBase Reference)

Safety Information

• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazard Note: Irritant
• HS Code: 29335990
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

5-Amino-4,6-dichloro-2-methylpyrimidine Usage And Synthesis

Appearance

White to Yellow to Green powder to crystal

Uses

5-Amino-4,6-dichloro-2-methylpyrimidine is a useful research chemical for organic synthesis and other chemical and pharmacological processes.

Application

5-Amino-4,6-dichloro-2-methylpyrimidine can be used as an intermediate in medical synthesis, such as the preparation of mosonidine. Mosonidine is a widely used antihypertensive drug.

Synthesis

13162-43-1

39906-04-2

GENERAL METHOD: 10% Pd/C catalyst (0.05 g) was added to a solution of 4,6-dichloro-2-methyl-5-nitropyrimidine (4.48 mmol) in ethyl acetate (EA, 20 mL) in a Parr hydrogenation reactor. Subsequently, the air in the reactor was replaced with nitrogen three times and the hydrogenation reaction was carried out at room temperature and at atmospheric pressure. Upon completion of the reaction, the Pd/C catalyst was removed by diatomaceous earth filtration and the filtrate was concentrated to afford the intermediate 2-methyl-4,6-dichloro-5-aminopyrimidine (11a). The product was a light-colored solid, yield: 84.0%; mass spectrum (ESI) m/z: 177.94 [M + H]+.

References

[1] European Journal of Medicinal Chemistry, 2017, vol. 140, p. 212 - 228
[2] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983, p. 1113 - 1115
[3] Khimiya Geterotsiklicheskikh Soedinenii, 1983, vol. 19, # 10, p. 1398 - 1400
[4] Journal of the Chemical Society, 1954, p. 3832,3833
[5] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 17, p. 5721 - 5726

5-Amino-4,6-dichloro-2-methylpyrimidine Preparation Products And Raw materials

• Raw materials: Sodium hydroxide-->Ethyl acetate-->Methanol-->Diethyl ether-->Acetic acid-->Toluene-->Nitric acid-->Phosphorus oxitrichloride-->Magnesium sulfate-->Sodium chloride-->Iron-->Trifluoroacetic acid-->Diethylamine-->Malonic acid-->Diisopropylamine-->4,6-Dihydroxy-2-methylpyrimidine-->N-(4,6-dihydroxy-2-methylpyrimidin-5-yl)acetamide-->2-METHYL-5-NITRO-PYRIMIDINE-4,6-DIOL