2-(4-CHLOROPHENOXY) PROPIONIC ACID

The 2-(4-Chlorophenoxy)propionic acid is an organic compound with the formula C₉H₉ClO₃. The IUPAC name of this chemical is 2-(4-chlorophenoxy)propanoic acid. With the CAS registry number 3307-39-9, it is also named as propanoic acid, 2-(4-chlorophenoxy)-.

Physical properties about 2-(4-Chlorophenoxy)propionic acid are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 0.03; (3)ACD/LogD (pH 7.4): -1.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.09; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 48.61 cm³; (14)Molar Volume: 153.4 cm³; (15)Polarizability: 19.27×10^-24cm³; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.307 g/cm³; (18)Flash Point: 146.4 °C; (19)Enthalpy of Vaporization: 59.12 kJ/mol; (20)Boiling Point: 318.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00015 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-[2-(4-chloro-phenoxy)-proπonyl]-4-isopropyl-oxazolidin-2-one. This reaction will need reagent H₂O, H₂O₂, LiOH  and solvent tetrahydrofuran. The yield is about 82%.

Uses of 2-(4-Chlorophenoxy)propionic acid: it can be used to produce (-)-(R)-4-methyl-1-[2-(4-chlorophenoxy)-1-oxopropyl]πperidine at temperature of 20 °C. It will need reagent N,N'-dicyclohexylcarbodiimide and solvent CH₂Cl₂. The yield is about 58%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OC(C(=O)O)C)cc1
(2)InChI: InChI=1/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
(3)InChIKey: DKHJWWRYTONYHB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12) CopyCopied
(5)Std. InChIKey: DKHJWWRYTONYHB-UHFFFAOYSA-N