2-METHYL-5-PHENYLFURAN-3-CARBOXYLIC ACID

This chemical is called 3-Furancarboxylic acid,2-methyl-5-phenyl-, and its systematic name is 2-Methyl-5-phenylfuran-3-carboxylic acid. With the molecular formula of C₁₂H₁₀O₃, its molecular weight is 202.21. The CAS registry number of the chemical is 108124-17-0. However, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of 3-Furancarboxylic acid,2-methyl-5-phenyl- can be summarised as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 16.47; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 119.32; (8)ACD/KOC (pH 7.4): 2.87; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 54.89 cm³; (15)Molar Volume: 166.3 cm³; (16)Polarizability: 21.76×10^-24cm³; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.215 g/cm³; (19)Flash Point: 169.8 °C; (20)Enthalpy of Vaporization: 63.57 kJ/mol; (21)Boiling Point: 357.1 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-05 mmHg at 25°C.

Production method of this chemical: The 3-Furancarboxylic acid,2-methyl-5-phenyl- could be obtained by the reactant of 2-Methyl-5-phenyl-furan-3-carboxylic acid ethyl ester. This reaction needs the reagent of Pieces of sodium, and the solvent of Ethanol. The yield is 35 %. In addition, this reaction should be taken for 3 hours at heated condition.



Uses of this chemical: The 3-Furancarboxylic acid,2-methyl-5-phenyl- could react with (4-Chloro-phenyl)-lithium to obtain the P-chlorophenyl 2-methyl-5-phenyl-3-furyl ketone. This reaction needs the solvent of Hexane. The yield is 60 %. In addition, this reaction should be taken at the ambient temperature.



When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting 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=C(O)c2c(oc(c1ccccc1)c2)C
2.InChI: InChI=1/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
3.InChIKey: VLMNACSEESRUAK-UHFFFAOYAF
4.Std. InChI: InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
5.Std. InChIKey: VLMNACSEESRUAK-UHFFFAOYSA-N