(S)-2-HYDROXY-2-METHYLBUTYRIC ACID

The Butanoic acid,2-hydroxy-2-methyl-,(2S)-, with the CAS registry number of 37505-07-0, is also known as (S)-2-Hydroxy-2-methylbutyric acid. The molecular formula of this chemical is C₅H₁₀O₃ and its molecular weight is 118.13. What's more, its IUPAC name is (2S)-2-Hydroxy-2-methylbutanoic acid.

Physical properties about Butanoic acid,2-hydroxy-2-methyl-,(2S)- are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.459; (12)Molar Refractivity: 28.27 cm³; (13)Molar Volume: 103.2 cm³; (14)Polarizability: 11.21×10^-24 cm³; (15)Surface Tension: 43.1 dyne/cm; (16)Density: 1.144 g/cm³; (17)Flash Point: 111.8 °C; (18)Enthalpy of Vaporization: 55.14 kJ/mol; (19)Boiling Point: 237.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00793 mmHg at 25 °C.

Preparation of Butanoic acid,2-hydroxy-2-methyl-,(2S)-: this chemical is prepared by 2-Benzyloxy-2-methyl-butyric acid at ambient temperature. This reaction needs reagent H₂, catalyst 10percent Pd-C and solvent Ethanol. The yield is about 67 %.

Uses of Butanoic acid,2-hydroxy-2-methyl-,(2S)-: it is used to produce other chemicals. For example, it is used to produce (S)-(-)-5-Ethyl-5-methyl-1,3-dioxolane-2,4-dione by heating. The reaction needs reagents Carbonic acid bis-trichloromethyl ester and Et₃N. Meanwhile, it needs solvent Tetrahydrofuran. The reaction time is 5 hours. The yield is about 69 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@](O)(C)CC
(2) InChI: InChI=1/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)/t5-/m0/s1
(3) InChIKey: MBIQENSCDNJOIY-YFKPBYRVBA