5-methoxyfuran-2-carbaldehyde

The 2-Furancarboxaldehyde, 5-methoxy-, with the CAS registry number 21300-07-2, is also known as 5-Methoxyfuraldehyde. This chemical's molecular formula is C₆H₆O₃ and molecular weight is 126.03. What's more, its systematic name is called 5-Methoxy-2-furaldehyde.

Physical properties about 2-Furancarboxaldehyde, 5-methoxy- are: (1)ACD/LogP: 0.634; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.79; (6)ACD/BCF (pH 7.4): 1.79; (7)ACD/KOC (pH 5.5): 52.74; (8)ACD/KOC (pH 7.4): 52.74; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 31.984 cm³; (15)Molar Volume: 107.896 cm³; (16)Polarizability: 12.679×10^-24cm³; (17)Surface Tension: 35.29 dyne/cm; (18)Density: 1.169 g/cm³; (19)Flash Point: 87.464 °C; (20)Enthalpy of Vaporization: 45.744 kJ/mol; (21)Boiling Point: 221.009 °C at 760 mmHg; (22)Vapour Pressure: 0.110 mmHg at 25 °C.

Preparation of 2-Furancarboxaldehyde, 5-methoxy-: this chemical can be prepared by 2-Hydroxymethyl-5-methoxy-furan. This reaction needs reagent manganese dioxide and solvents ethanol, CH₂Cl₂ at ambient temperature. The reaction time is 16 hours. The yield is 69 %.

Uses of 2-Furancarboxaldehyde, 5-methoxy-: it is used to produce other chemicals. For example, it can react with diethoxyphosphoryl-acetic acid ethyl ester to get 3-(5-methoxy-furan-2-yl)-acrylic acid ethyl ester. This reaction needs reagent n-BuLi and solvent tetrahydrofuran at temperature of -78 °C. The yield is 88 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1oc(OC)cc1
(2) InChI: InChI=1S/C6H6O3/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3
(3) InChIKey: RJGBSYZFOCAGQY-UHFFFAOYSA-N