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| | 2,4-Dichloro-5-nitropyrimidine Basic information |
| Product Name: | 2,4-Dichloro-5-nitropyrimidine | | Synonyms: | 2,4-DICHLORO-5-NITROPYRIMIDINE 97%;Pyrimidine, 2,4-dichloro-5-nitro-;2,4-Dichloro-5-nitropyrimidine ,97%;JR-6659, 2,4-Dichloro-5-nitropyrimidine, 97%;2,4-Dichloro-5-nitro-1,3-diazine;2,4-DICHLORO-5-NITROPYRIMIDINE;2,4- twochloro -5-nitropyriMidine;2,4-Dichloro-5-nitropyrimidine> | | CAS: | 49845-33-2 | | MF: | C4HCl2N3O2 | | MW: | 193.98 | | EINECS: | 629-447-5 | | Product Categories: | Heterocycle-Pyrimidine series;Building Blocks;C4 to C5;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks;Organohalides;Nucleotides and Nucleosides;pharmacetical;Pyrimidine Derivertives;Pyrimidine series;APIs & Intermediate;Pyrimidine;Pyridines, Pyrimidines, Purines and Pteredines;Bases & Related Reagents;Nucleotides;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrimidines;PyrimidinesHeterocyclic Building Blocks;Purine;bc0001 | | Mol File: | 49845-33-2.mol |  |
| | 2,4-Dichloro-5-nitropyrimidine Chemical Properties |
| Melting point | 28-32 °C | | Boiling point | 0.9 °C0.5 mm Hg | | density | 2.0263 (rough estimate) | | refractive index | 1.6100 (estimate) | | Fp | >230 °F | | storage temp. | Inert atmosphere,Store in freezer, under -20°C | | solubility | Chloroform (Slightly), Methanol (Slightly) | | pka | -6.02±0.29(Predicted) | | form | Liquid or Low Melting Solid | | color | Clear yellow | | Sensitive | Moisture Sensitive | | InChI | InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H | | InChIKey | INUSQTPGSHFGHM-UHFFFAOYSA-N | | SMILES | C1(Cl)=NC=C([N+]([O-])=O)C(Cl)=N1 | | CAS DataBase Reference | 49845-33-2(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | Hazard Note | Irritant/Moisture Sensitive/Keep under Argon | | HazardClass | IRRITANT, LACHRYMATOR | | HS Code | 29335990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,4-Dichloro-5-nitropyrimidine Usage And Synthesis |
| Chemical Properties | Yellow Solid | | Uses | Intermediate in a solid-phase synthesis of diaminopurines.1 | | Uses | 2,4-Dichloro-5-nitropyrimidine (cas# 49845-33-2) is a compound useful in organic synthesis. | | Anticancer Research | Molecular docking analysis has shown that 2,4-dichloro-5-nitropyrimidine can bind to EGF receptor sites on the surface of tumor cells, thereby inhibiting their growth. | | Synthesis | General procedure for the synthesis of 2,4-dichloro-5-nitropyrimidine from 5-nitropyrimidine-2,4(1H,3H)-dione: 5-nitrouracil (6.28 g, 0.040 mol) was mixed with phosphorus triclosan (26 mL), and N,N-dimethylaniline (8 mL) was slowly added under stirring conditions. The reaction mixture was then heated to 110 °C and maintained at this temperature for 8 hours. Upon completion of the reaction, the excess trichlorophosphorus was removed by distillation. The remaining mixture was ground and separated by silica gel column chromatography. Finally, the collected fractions were concentrated to give 6.2 g of yellow oily liquid product in 94% yield. | | References | [1] Patent: CN106432239, 2017, A. Location in patent: Paragraph 0066; 0071; 0072
[2] Journal of Heterocyclic Chemistry, 2012, vol. 49, # 2, p. 321 - 328
[3] Tetrahedron Letters, 2006, vol. 47, # 50, p. 8897 - 8900
[4] Patent: WO2010/83645, 2010, A1. Location in patent: Page/Page column 27
[5] Patent: US7256196, 2007, B1. Location in patent: Page/Page column 8; 9-10 |
| | 2,4-Dichloro-5-nitropyrimidine Preparation Products And Raw materials |
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