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37505-02-5

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Basic Information
CAS No.: 37505-02-5
Name: (R)-2-HYDROXY-2-METHYLBUTYRIC ACID
Article Data: 12
Molecular Structure:
Molecular Structure of 37505-02-5 ((R)-2-HYDROXY-2-METHYLBUTYRIC ACID)
Formula: C5H10O3
Molecular Weight: 118.13
Synonyms: (R)-2-Methyl-2-hydroxybutanoic acid;(2R)-2-Hydroxy-2-methylbutanoic acid;
Density: 1.144 g/cm3
Boiling Point: 237.6 °C at 760 mmHg
Flash Point: 111.8 °C
PSA: 57.53000
LogP: 0.23200
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Specification

The Butanoic acid,2-hydroxy-2-methyl-,(2R)-, with the CAS registry number of 37505-02-5, is also known as (R)-2-Methyl-2-hydroxybutanoic acid. The molecular formula of this chemical is C5H10O3 and its molecular weight is 118.13. What's more, its IUPAC name is (2R)-2-Hydroxy-2-methylbutanoic acid.

Physical properties about Butanoic acid,2-hydroxy-2-methyl-,(2R)- are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -3.28; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 28.27 cm3; (15)Molar Volume: 103.2 cm3; (16)Polarizability: 11.21×10-24 cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 111.8 °C; (20)Enthalpy of Vaporization: 55.14 kJ/mol; (21)Boiling Point: 237.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00793 mmHg at 25 °C.

Preparation of Butanoic acid,2-hydroxy-2-methyl-,(2R)-: this chemical is prepared by (8aS)-3c-Ethyl-3t-methyl-(8ar)-tetrahydro-pyrrolo[2,1-c][1,4]oxazine-1,4-dione. The reaction needs reagent aq. HCl.

The Butanoic acid,2-hydroxy-2-methyl-,(2R)- can be obtained by (8aS)-3c-Ethyl-3t-methyl-(8ar)-tetrahydro-pyrrolo[2,1-c][1,4]oxazine-1,4-dione.

Uses of Butanoic acid,2-hydroxy-2-methyl-,(2R)-: it is used to produce other chemicals. For example, it is used to produce (R)-(+)-5-Ethyl-5-methyl-1,3-dioxolane-2,4-dione by heating. This reaction needs reagent NEt3 and solvent Tetrahydrofuran. The reaction time is 5 hours. The yield is about 64 %.

Butanoic acid,2-hydroxy-2-methyl-,(2R)- can be used to produce (R)-(+)-5-Ethyl-5-methyl-1,3-dioxolane-2,4-dione.

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-/m1/s1
(3) InChIKey: MBIQENSCDNJOIY-RXMQYKEDBS