DL-2-HYDROXY-N-BUTYRIC ACID

The Butanoic acid,2-hydroxy- is an organic compound with the formula C₄H₈O₃. The IUPAC name of this chemical is 2-hydroxybutanoic acid. With the CAS registry number 600-15-7, it is also named as 2-hydroxy-DL-Butyric acid.

Physical properties about Butanoic acid,2-hydroxy- are: (1)ACD/LogP: -0.17; (2)ACD/LogD (pH 5.5): -2.29; (3)ACD/LogD (pH 7.4): -3.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 23.63 cm³; (14)Molar Volume: 87 cm³; (15)Polarizability: 9.37×10^-24cm³; (16)Surface Tension: 46.3 dyne/cm; (17)Density: 1.195 g/cm³; (18)Flash Point: 112.2 °C; (19)Enthalpy of Vaporization: 55.22 kJ/mol; (20)Boiling Point: 238.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00759 mmHg at 25°C.

Preparation of Butanoic acid,2-hydroxy-: this chemical can be prepared by 2-methyl-3-oxo-succinic acid diallyl ester. This reaction will need reagents Ru₂(cod)₂(OCOCF₃)₄-1,4-bis(diphenylphosphino)butane (DPPB), formic acid, triethylamine and solvent dioxane. The reaction time is 4 hours by heating. The yield is about 50%.

Uses of Butanoic acid,2-hydroxy-: it can be used to produce 2-hydroxy-butyric acid ethyl ester. It will need reagent copper sulfate.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact 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)C(O)CC
(2)InChI: InChI=1/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
(3)InChIKey: AFENDNXGAFYKQO-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
(5)Std. InChIKey: AFENDNXGAFYKQO-UHFFFAOYSA-N