Introduction：Basic information about 5-Iodo-2,4-dimethoxypyrimidine CAS 52522-99-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
5-Iodo-2,4-dimethoxypyrimidine Basic information
| Product Name: | 5-Iodo-2,4-dimethoxypyrimidine |
| Synonyms: | 5-IODO-2,4-DIMETHOXYPYRIMIDINE;3-METHYLPHTHALIC ACID;2,4-Dimethoxy-5-iodopyrimidine;5-Iodo-2,4-dimethoxypyrimidine ,98%;2,3-Toluenedicarboxylic acid;3-Methylbenzene-1,2-dicarboxylic acid;5-Iodo-2,4-dimethoxypyrimidine>Pyrimidine, 5-iodo-2,4-dimethoxy- |
| CAS: | 52522-99-3 |
| MF: | C6H7IN2O2 |
| MW: | 266.04 |
| EINECS: | |
| Product Categories: | Heterocycle-Pyrimidine series;Pyrimidine;Biochemistry;Nucleobases and their analogs;Nucleosides, Nucleotides & Related Reagents;Nucleoside Analogs;Biochemicals and Reagents;Building Blocks;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks;Nucleosides;Nucleotides;Oligonucleotides;C6 to C8;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrimidines;PyrimidinesHeterocyclic Building Blocks;Nucleoside AnalogsHeterocyclic Building Blocks;Biochemicals and Reagents;Nucleosides, Nucleotides, Oligonucleotides |
| Mol File: | 52522-99-3.mol |
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5-Iodo-2,4-dimethoxypyrimidine Chemical Properties
| Melting point | 71-75 °C (lit.) |
| Boiling point | 328.7±52.0 °C(Predicted) |
| density | 1.822±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| solubility | Chloroform; Dichloromethane |
| form | Solid |
| pka | 1.33±0.29(Predicted) |
| color | Off-White |
| λmax | 277 nm |
| Sensitive | Light Sensitive |
| InChI | 1S/C6H7IN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3 |
| InChIKey | KNTMOGOYRYYUIE-UHFFFAOYSA-N |
| SMILES | COc1ncc(I)c(OC)n1 |
| CAS DataBase Reference | 52522-99-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,T |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-24/25 |
| WGK Germany | 3 |
| HazardClass | IRRITANT, TOXIC |
| HS Code | 29335990 |
| Storage Class | 11 - Combustible Solids |
5-Iodo-2,4-dimethoxypyrimidine Usage And Synthesis
| Chemical Properties | White solid |
| Uses | 3-Methylphthalic Acid is a by-product during the synthesis of 3-Methylhexahydrophthalic Anhydride (M312385), a useful reagent for the synthesis of?geometrical isomers of 1,2,3-trimethylcyclohexane. It can also be used to prepare?hydroxycarbamoyl carboxylic acids for the flotation of diaspore and aluminosilicate minerals. |
| Synthesis Reference(s) | Journal of the American Chemical Society, 82, p. 4753, 1960 DOI: 10.1021/ja01502a085 |
| Synthesis Reference(s) | Synthetic Communications, 18, p. 855, 1988 DOI: 10.1080/00397918808057855 |
| Synthesis | Under nitrogen protection, 2,4-dimethoxypyrimidine (1.4 g, 10 mmol) was dissolved in tetrahydrofuran (14 mL), cooled to about 0 ??C, 1 M magnesium dichloride (2,2,6,6-tetramethylpiperidinium) lithium salt (11 mL, 11 mmol) was added dropwise with stirring, and after completion of the dropwise addition, stirring was continued for 2 hours, and then iodine (2.79 g, 11 mmol), and after maintaining the reaction at low temperature for 2 hours, it was naturally warmed back to room temperature and stirring was continued for 6 hours. The reaction solution was quenched by pouring into aqueous ammonium chloride solution, extracted three times with ethyl acetate, combined, washed, dried and concentrated. After column chromatography of the crude product obtained, 2,4-dimethoxy-5-iodopyrimidine (2.34 g, 88% yield) was obtained. |
5-Iodo-2,4-dimethoxypyrimidine Preparation Products And Raw materials
| Raw materials | Methanol-->Sodium-->Sodium Methoxide-->Trifluoroacetic acid-->Trifluoroacetic anhydride-->2,4-Dichloropyrimidine-->N-Iodosuccinimide |
