AMCA-NHS

The 2H-1-Benzopyran-3-aceticacid, 7-amino-4-methyl-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester is an organic compound with the formula C₁₆H₁₄N₂O₆. The systematic name of this chemical is 1-{[(7-amino-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]oxy}pyrrolidine-2,5-dione. With the CAS registry number 113721-87-2, it is also named as 2,5-pyrrolidinedione, 1-[[2-(7-amino-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]oxy]-.

Physical properties about 2H-1-Benzopyran-3-aceticacid, 7-amino-4-methyl-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester are: (1)ACD/LogP: -0.53; (2)ACD/LogD (pH 5.5): -0.53; (3)ACD/LogD (pH 7.4): -0.53; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.22; (7)ACD/KOC (pH 7.4): 12.22; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 93.22 Å²; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 79.86 cm³; (14)Molar Volume: 218.9 cm³; (15)Polarizability: 31.66×10^-24cm³; (16)Surface Tension: 72.7 dyne/cm; (17)Density: 1.5 g/cm³; (18)Flash Point: 292.1 °C; (19)Enthalpy of Vaporization: 84.17 kJ/mol; (20)Boiling Point: 559.4 °C at 760 mmHg; (21)Vapour Pressure: 1.52E-12 mmHg at 25°C.

Uses of 2H-1-Benzopyran-3-aceticacid, 7-amino-4-methyl-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester: it can be used to produce 11-[2-(7-amino-4-methyl-2-oxo-2H-chromen-3-yl)-acetylamino]-undecanoic acid by heating. It will need reagent aq. Na₂CO₃ and solvent dimethylformamide with reaction time of 3 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3N(OC(=O)CC\1=C(\c2c(OC/1=O)cc(cc2)N)C)C(=O)CC3
(2)InChI: InChI=1/C16H14N2O6/c1-8-10-3-2-9(17)6-12(10)23-16(22)11(8)7-15(21)24-18-13(19)4-5-14(18)20/h2-3,6H,4-5,7,17H2,1H3
(3)InChIKey: ILKQVTIMOGNSAS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C16H14N2O6/c1-8-10-3-2-9(17)6-12(10)23-16(22)11(8)7-15(21)24-18-13(19)4-5-14(18)20/h2-3,6H,4-5,7,17H2,1H3
(5)Std. InChIKey: ILKQVTIMOGNSAS-UHFFFAOYSA-N