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| CAS No.: | 55326-07-3 |
|---|---|
| Name: | 1,3,6-Trimethyl-5-nitrouracil |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C7H9N3O4 |
| Molecular Weight: | 199.166 |
| Synonyms: | 2,4(1H,3H)-Pyrimidinedione; |
| Density: | 1.43 g/cm3 |
| Boiling Point: | 273.2 °C at 760 mmHg |
| Flash Point: | 119 °C |
| PSA: | 89.82000 |
| LogP: | -0.17620 |
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- Total:7 Page 1 of 1 1
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Specification
The 1,3,6-Trimethyl-5-nitrouracil, with the CAS registry number 55326-07-3, is also known as 2,4(1H,3H)-Pyrimidinedione, 1,3,6-Trimethyl-5-nitro-. This chemical's molecular formula is C7H9N3O4 and molecular weight is 199.1641. What's more, its IUPAC name is (2,5-Dimethyl-3,4-dihydropyran-2-yl)methanol.
Physical properties about 1,3,6-Trimethyl-5-nitrouracil are: (1)ACD/LogP: 0.50; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 86.44 Å2; (7)Index of Refraction: 1.575; (8) Molar Refractivity: 45.89 cm3; (9)Molar Volume: 138.7 cm3; (10)Polarizability: 18.19×10-24cm3; (11)Surface Tension: 57.8 dyne/cm; (12)Density: 1.43 g/cm3; (13)Flash Point: 119 °C; (14)Enthalpy of Vaporization: 51.15 kJ/mol; (15)Boiling Point: 273.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00582 mmHg at 25 °C.
Preparation of 1,3,6-Trimethyl-5-nitrouracil: this chemical can be prepared by 1,3,6-Trimethyl-1H-pyrimidine-2,4-dione.This reaction needs reagents HNO3 and H2SO4, at temperature of 0-5 °C. The yield is 79%.
Uses of 1,3,6-Trimethyl-5-nitrouracil: it can react with 4-Methyl-benzaldehyde to give 7-Hydroxy-1,3-dimethyl-6-p-tolyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione. The reaction occurs with reagent Piperidine and other condition of heating for 2 hours. The yield is 43%.
![1,3,6-Trimethyl-5-nitrouracil can react with 4-Methyl-benzaldehyde to give 7-Hydroxy-1,3-dimethyl-6-p-tolyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione.](/UserFilesUpload/uses of 1,3,6-Trimethyl-5-nitrouracil.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N(/C(=C(\C(=O)N1C)[N+]([O-])=O)C)C
(2) InChI: InChI=1/C7H9N3O4/c1-4-5(10(13)14)6(11)9(3)7(12)8(4)2/h1-3H3
(3) InChIKey: OSTDULKDQDIIKB-UHFFFAOYAJ