Butanamide,N-(5-chloro-2-methoxyphenyl)-3-oxo- (52793-11-0)

This chemical is called N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide, and it can also be named as 5'-Chloro-2'-methoxyacetoacetanilide. With the molecular formula of C₁₁H₁₂ClNO₃, its molecular weight 241.67. In addition, the CAS registry number of this chemical is 52793-11-0, and it is white to pink powder.

Other characteristics of this chemical can be summarised as followings:(1)XLogP3-AA 2.1; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 4; (5)Tautomer Count: 8; (6)Exact Mass: 241.050571; (7)MonoIsotopic Mass: 241.050571; (8)Topological Polar Surface Area: 55.4; (9)Heavy Atom Count: 16; (10)Formal Charge: 0; (11)Complexity: 270; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

Uses of this chemical: The N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide is often used as intermediate for the manufacture of organic pigments. The 1-(5-chloro-2-methoxy-phenyl)-2,6-dimethyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid (5-chloro-2-methoxy-phenyl)-amide could be obtained by the N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide. This reaction needs the reagent of p-toluenesulfonic acid (ptsa) and the solvent of benzene. In addition, this reaction should take for 24 hours and the yield is 64.8 %. The other condition is heating.



You can still convert the following datas into molecular structure: 
(1)SMILES: CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)OC
(2)InChI: InChI=1S/C11H12ClNO3/c1-7(14)5-11(15)13-9-6-8(12)3-4-10(9)16-2/h3-4,6H,
5H2,1-2H3,(H,13,15)
(3)InChIKey: HSGGSKCDDPPKMD-UHFFFAOYSA-N