METHYL 5-AMINO-2-FUROATE

The CAS register number of 2-Furancarboxylic acid,5-amino-, methyl ester is 22600-30-2. It also can be called as 2-Amino-5-methoxycarbonylfuran and the systematic name about this chemical is methyl 5-aminofuran-2-carboxylate. The molecular formula about this chemical is C₆H₇NO₃ and the molecular weight is 141.12. It belongs to the following product categories which include Carboxylicester; Aminoacid and so on.

Physical properties about 2-Furancarboxylic acid,5-amino-, methyl ester are: (1)ACD/LogP: 0.48; (2)ACD/LogD (pH 5.5): 0.48; (3)ACD/LogD (pH 7.4): 0.48; (4)ACD/BCF (pH 5.5): 1.35; (5)ACD/BCF (pH 7.4): 1.35; (6)ACD/KOC (pH 5.5): 43.24; (7)ACD/KOC (pH 7.4): 43.24; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 42.68 Å²; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 34.56 cm³; (14)Molar Volume: 112.4 cm³; (15)Polarizability: 13.7x10^-24cm³; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.255 g/cm³; (18)Flash Point: 121.9 °C; (19)Enthalpy of Vaporization: 51.65 kJ/mol; (20)Boiling Point: 277.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00439 mmHg at 25 °C.

Preparation: this chemical can be prepared by 5-nitro-furan-2-carboxylic acid methyl ester. This reaction will need reagent of calcium carbonate and catalytic agent of palladium.

Uses of 2-Furancarboxylic acid,5-amino-, methyl ester: it can be used to produce 3-hydroxy-6-imino-cyclohexa-1,4-diene-1,2,3-tricarboxylic acid trimethyl ester. This reaction will need reagent of dimethyl acetylenedicarboxylate and solvent of benzene. The yield is about 58%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. If you want to use it, do not breathe dust and avoid contact with skin and eyes. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. It is slightly hazardous to water. If no official permission, do not put materials into the permission surroundings. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1oc(N)cc1
(2)InChI: InChI=1/C6H7NO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3
(3)InChIKey: KLKQGSISBRVCTK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H7NO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3
(5)Std. InChIKey: KLKQGSISBRVCTK-UHFFFAOYSA-N