3-Furancarboxylic acid,tetrahydro- (89364-31-8)

The systematic name of this chemical is tetrahydrofuran-3-carboxylic acid. With the CAS registry number 89364-31-8, it is also named as 3-Furancarboxylic acid, tetrahydro-. The product's categories are carboxylicacid; API intermediates; building blocks; furans; heterocyclic building blocks. Additionally, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -3.5; (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)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 26.15 cm³; (15)Molar Volume: 92 cm³; (16)Polarizability: 10.37×10^-24cm³; (17)Surface Tension: 47.1 dyne/cm; (18)Enthalpy of Vaporization: 53.89 kJ/mol ; (19)Vapour Pressure: 0.00618 mmHg at 25°C.

Preparation of Tetrahydrofuran-3-carboxylic acid: This chemical can be prepared by furan-3-carboxylic acid. This reaction needs reagent palladium / charcoal and acetic acid by hydrogenation.

Uses of Tetrahydrofuran-3-carboxylic acid: It can react with methanol to get tetrahydro-furan-3-carboxylic acid methyl ester. This reaction needs reagent p-TsOH by heating. The reaction time is 3.0 hours. The yield is 89%.

When you are using this chemical, please be cautious about it as the following:
It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(O)C1COCC1
2. InChI: InChI=1/C5H8O3/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)
3. InChIKey: BOTREHHXSQGWTR-UHFFFAOYAD