Dimethyl 3,4-furandicarboxylate

The Dimethyl 3,4-furandicarboxylate, with the CAS registry number 4282-33-1, is also known as 3,4-Bis(Methoxycarbonyl)furan. It belongs to the product categories of API intermediates; DID - DINBuilding Blocks; Alphabetic; D; Building Blocks; Furans; Heterocyclic Building Blocks. This chemical's molecular formula is C₈H₈O₅ and molecular weight is 184.15. What's more, both its IUPAC name and systematic name are the same which is called Dimethyl furan-3,4-dicarboxylate. It should be kept in a cold and dry place.

Physical properties about Dimethyl 3,4-furandicarboxylate are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 65.74 Å²; (7)Index of Refraction: 1.48; (8)Molar Refractivity: 42.09 cm³; (9)Molar Volume: 148 cm³; (10)Surface Tension: 39.4 dyne/cm; (11)Density: 1.244 g/cm³; (12)Flash Point: 84.9 °C; (13)Enthalpy of Vaporization: 50.93 kJ/mol; (14)Boiling Point: 271.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00659 mmHg at 25 °C.

Preparation of Dimethyl 3,4-furandicarboxylate: this chemical can be prepared by 7-Oxa-norborn-2-ene-2,3-dicarboxylic acid dimethyl ester. This reaction needs reagent trichloroethylene at temperature of 180 °C.

Uses of Dimethyl 3,4-furandicarboxylate: it is used to produce other chemicals. For example, it can react to get 3,4-Bis-hydroxymethyl-furan. The reaction occurs with reagent LiAlH₄ and solvent diethyl ether. The yield is 88 %.

When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cocc1C(=O)OC
(2) InChI: InChI=1/C8H8O5/c1-11-7(9)5-3-13-4-6(5)8(10)12-2/h3-4H,1-2H3
(3) InChIKey: SEVRCIAIDGNMFY-UHFFFAOYAS