ETHYL 5-(CHLOROMETHYL)-2-FURANCARBOXYLATE

The 2-Furancarboxylic acid,5-(chloromethyl)-, ethyl ester is an organic compound with the formula C₈H₉ClO₃. The IUPAC name of this chemical is ethyl 5-(chloromethyl)furan-2-carboxylate. With the CAS registry number 2528-00-9, it is also named as 5-Chloromethyl-2-furancarboxylic acid ethyl ester. The product's categories are Furans, Benzofurans & Dihydrobenzofurans; Methyl Halides; API Intermediates; Furans, Benzofurans & Dihydrobenzofurans; Methyl Halides; Building Blocks; Furans; FuransHeterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. Besides, it should be stored in a closed cool and dry place.

Physical properties about 2-Furancarboxylic acid,5-(chloromethyl)-, ethyl ester are: (1)ACD/LogP: 1.79; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 39.44 Å²; (5)Index of Refraction: 1.491; (6)Molar Refractivity: 44.72 cm³; (7)Molar Volume: 154.3 cm³; (8)Polarizability: 17.73×10^-24cm³; (9)Surface Tension: 37.2 dyne/cm; (10)Density: 1.222 g/cm³; (11)Flash Point: 124.6 °C; (12)Enthalpy of Vaporization: 52.13 kJ/mol; (13)Boiling Point: 282.4 °C at 760 mmHg; (14)Vapour Pressure: 0.00337 mmHg at 25°C.

Preparation of 2-Furancarboxylic acid,5-(chloromethyl)-, ethyl ester: this chemical can be prepared by furan-2-carboxylic acid ethyl ester and formaldehyde. This reaction will need reagents HCl(gas), ZnCl₂ and solvent CHCl₃. The reaction time is 4 hours at ambient temperature. The yield is about 52%.

Uses of 2-Furancarboxylic acid,5-(chloromethyl)-, ethyl ester: it can be used to produce 5-dimethylaminomethyl-furan-2-carboxylic acid ethyl ester. It will need reagent benzene.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1oc(cc1)CCl
(2)InChI: InChI=1/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3
(3)InChIKey: JBACYJRMCXLIQU-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3
(5)Std. InChIKey: JBACYJRMCXLIQU-UHFFFAOYSA-N