2-Tetrahydrofuroic acid

1.Introduction of 2-Tetrahydrofuroic acid

The 2-Tetrahydrofuroic acid, with the CAS registry number 16874-33-2, is also known as 2-Furancarboxylic acid, tetrahydro-. It belongs to the product categories of Furan & Benzofuran; Organic Acids; Furans. This chemical's molecular formula is C₅H₈O₃ and molecular weight is 116.12. Its IUPAC name is called oxolane-2-carboxylic acid. What's more, this chemical can be used as intermediates in pharmaceutical synthetic.

2.Physical properties of 2-Tetrahydrofuroic acid

(1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.5; (4)ACD/LogD (pH 7.4): -4.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 26.15 cm³; (14)Molar Volume: 92 cm³; (15)Surface Tension: 47.1 dyne/cm; (16)Density: 1.262 g/cm³; (17)Flash Point: 113.2 °C; (18)Enthalpy of Vaporization: 52.88 kJ/mol; (19)Boiling Point: 243.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0107 mmHg at 25°C.

3. Sturcture descriptors of 2-Tetrahydrofuroic acid

(1)Canonical SMILES: C1CC(OC1)C(=O)O
(2)InChI: InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)
(3)InChIKey: UJJLJRQIPMGXEZ-UHFFFAOYSA-N

4.Preparation of 2-Tetrahydrofuroic acid

The 2-Tetrahydrofuroic acid can be prepared by furan-2-carboxylic acid. This reaction will need reagent H₂ and solvent ethyl acetate. The yield is about 95%.

5. Uses of 2-Tetrahydrofuroic acid

2-Tetrahydrofuroic acid can be used to produce tetrahydro-furan-2-carbonyl chloride at temperature of 20 °C. This reaction will need reagents oxalyl dichloride, DMF and solvent CH₂Cl₂.

6.When you are using this chemical, please be cautious about it as the following:

This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).