Butanoic acid, 4-(4-amino-2,6-dimethoxyphenoxy)-, methyl ester

The Butanoic acid, 4-(4-amino-2,6-dimethoxyphenoxy)-, methyl ester, with the CAS registry number 159645-66-6, is also known as 4-(4-Amino-2,6-dimethoxy-phenoxy)-butyric acid methyl ester. This chemical's molecular formula is C₁₃H₁₉NO₅ and molecular weight is 269.29. What's more, its systematic name is methyl 4-(4-amino-2,6-dimethoxy-phenoxy)butanoate.

Physical properties of Butanoic acid, 4-(4-amino-2,6-dimethoxyphenoxy)-, methyl ester are: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.569; (4)ACD/LogD (pH 7.4): 0.594; (5)ACD/BCF (pH 5.5): 1.571; (6)ACD/BCF (pH 7.4): 1.666; (7)ACD/KOC (pH 5.5): 47.275; (8)ACD/KOC (pH 7.4): 50.134; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 80.01 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 70.831 cm³; (15)Molar Volume: 233.23 cm³; (16)Polarizability: 28.08×10^-24cm³; (17)Surface Tension: 40.122 dyne/cm; (18)Density: 1.155 g/cm³; (19)Flash Point: 184.758 °C; (20)Enthalpy of Vaporization: 67.154 kJ/mol; (21)Boiling Point: 418.049 °C at 760 mmHg.

Preparation of Butanoic acid, 4-(4-amino-2,6-dimethoxyphenoxy)-, methyl ester: this chemical can be prepared by 4-(2,6-dimethoxy-4-nitro-phenoxy)-butyric acid methyl ester at the ambient temperature. This reaction will need reagent H₂ and solvent methanol. This reaction will also need catalyst 10% Pd/C. The yield is about 64%.

Uses of Butanoic acid, 4-(4-amino-2,6-dimethoxyphenoxy)-, methyl ester: it can be used to produce 4-[4-(2,4-dinitro-phenylamino)-2,6-dimethoxy-phenoxy]-butyric acid methyl ester. It will need reagent K₂CO₃ and solvent acetonitrile with the reaction time of 24 hours. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(cc(c1OCCCC(=O)OC)OC)N
(2)InChI: InChI=1S/C13H19NO5/c1-16-10-7-9(14)8-11(17-2)13(10)19-6-4-5-12(15)18-3/h7-8H,4-6,14H2,1-3H3
(3)InChIKey: WSARHZFJUYLBGM-UHFFFAOYSA-N