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Name |
2,5-Dimethoxyacetoacetanilide |
EINECS | 228-936-7 |
CAS No. | 6375-27-5 | Density | 1.182 g/cm3 |
PSA | 64.63000 | LogP | 1.69440 |
Solubility | N/A | Melting Point |
67-68 °C |
Formula | C12H15NO4 | Boiling Point | 410 °C at 760 mmHg |
Molecular Weight | 237.255 | Flash Point | 201.8 °C |
Transport Information | N/A | Appearance | White Crystals |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetoacetanilide,2',5'-dimethoxy- (8CI);2',5'-Dimethoxyacetoacetanilide;Acetoacetyl2,5-dimethoxyanilide;NSC 50634; |
Article Data | 12 |
This chemical is called Butanamide, N-(2,5-dimethoxyphenyl)-3-oxo-, and its CAS registry number is 6375-27-5. With the molecular formula of C12H15NO4, its procuct categories are Amine; Organic Materials. Additionally, it's the intermediates of lufthansa yellow, double-azo pigments.
Other characteristics of the Butanamide, N-(2,5-dimethoxyphenyl)-3-oxo- can be summarised as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.18; (6)ACD/BCF (pH 7.4): 3.16; (7)ACD/KOC (pH 5.5): 79.74; (8)ACD/KOC (pH 7.4): 79.06; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 63.17 cm3; (15)Molar Volume: 200.6 cm3; (16)Polarizability: 25.04×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 201.8 °C; (20)Enthalpy of Vaporization: 66.23 kJ/mol; (21)Boiling Point: 410 °C at 760 mmHg; (22)Vapour Pressure: 6.21E-07 mmHg at 25°C.
Production method of this chemical: The Butanamide, N-(2,5-dimethoxyphenyl)-3-oxo- could be obtained by the reactants of 2,2,6-trimethyl-[1,3]dioxin-4-one and 2,5-dimethoxy-aniline. This reaction needs the solvent of xylene. The yield is 97 %. In addition, this reaction should be taken for 30 minutes at the temperature of 120 °C.
Uses of this chemical: The 5,8-dimethoxy-4-methyl-1H-quinolin-2-one could be obtained by the reactant of Butanamide, N-(2,5-dimethoxyphenyl)-3-oxo-. This reaction needs the reagent of conc. H2SO4. The yield is 84 %. This reaction should be taken for 30 minutes at the ambient temperature.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(C)CC(=O)Nc1cc(OC)ccc1OC
2.InChI: InChI=1/C12H15NO4/c1-8(14)6-12(15)13-10-7-9(16-2)4-5-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)
3.InChIKey: PJFIAKRRJLGWMD-UHFFFAOYAF