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CAS No.: | 113949-10-3 |
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Name: | 4-Pyrimidinecarboxylicacid,5-methoxy-2-methyl-(9CI) |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H8N2O3 |
Molecular Weight: | 168.152 |
Synonyms: | 5-Methoxy-2-methyl-4-pyrimidinecarboxylic acid; |
Density: | 1.307 g/cm3 |
Boiling Point: | 317.713 °C at 760 mmHg |
Flash Point: | 145.948 °C |
PSA: | 72.31000 |
LogP: | 0.49180 |
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The 4-Pyrimidinecarboxylicacid, 5-methoxy-2-methyl-, with the CAS registry number 113949-10-3, is also known as 5-Methoxy-2-methyl-4-pyrimidinecarboxylic acid. It belongs to the product category of Glycinescaffold. This chemical's molecular formula is C7H8N2O3 and molecular weight is 168.151. What's more, its systematic name is 5-Methoxy-2-methylpyrimidine-4-carboxylic acid.
Physical properties about 4-Pyrimidinecarboxylicacid, 5-methoxy-2-methyl- are: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 72.31 Å2; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 40.869 cm3; (13)Molar Volume: 128.688 cm3; (14)Polarizability: 16.202×10-24 cm3; (15)Surface Tension: 55.985 dyne/cm; (16)Density: 1.307 g/cm3; (17)Flash Point: 145.948 °C; (18)Enthalpy of Vaporization: 59.032 kJ/mol; (19)Boiling Point: 317.713 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
Uses of 4-Pyrimidinecarboxylicacid, 5-methoxy-2-methyl-: it is used to produce other chemicals. For example, it is used to produce 5-Methoxy-2-methyl-pyrimidine-4-carboxylic acid (6-carbamoyl-2-hydroxy-3-methyl-phenyl)-amide by heating. This reaction needs reagents 2-Amino-3-hydroxy-4-methyl-benzamide and CDI. Meanwhile, it needs solvent Tetrahydrofuran. The yield is about 85 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1nc(ncc1OC)C
(2) InChI: InChI=1/C7H8N2O3/c1-4-8-3-5(12-2)6(9-4)7(10)11/h3H,1-2H3,(H,10,11)
(3) InChIKey: RVOCKJRFXCSHJL-UHFFFAOYAY