237412-04-3

Basic information

• Product Name: 2-(4-ISOPROPYLPHENOXY)PROPANOIC ACID
• Synonyms: ART-CHEM-BB B013847;CHEMBRDG-BB 3013847;AKOS B013847;AKOS BBB/278;2-(4-ISOPROPYLPHENOXY)PROPANOIC ACID;2-(4-isopropylphenoxy)propanoic acid(SALTDATA: FREE);2-(4-isopropylphenoxy)propionic acid;2-(4-propan-2-ylphenoxy)propanoic acid
• CAS NO: 237412-04-3
• Molecular Formula: C12H16O3
• Molecular Weight: 208.25
• Mol File: 237412-04-3.mol

Chemical Properties

• Boiling Point: 323.2°C at 760 mmHg
• Flash Point: 119.8°C
• Appearance: /
• Density: 1.087g/cm³
• Vapor Pressure: 0.000109mmHg at 25°C
• Refractive Index: 1.516
• PKA: 3.26±0.10(Predicted)
• CAS DataBase Reference: 2-(4-ISOPROPYLPHENOXY)PROPANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-ISOPROPYLPHENOXY)PROPANOIC ACID(237412-04-3)
• EPA Substance Registry System: 2-(4-ISOPROPYLPHENOXY)PROPANOIC ACID(237412-04-3)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 237412-04-3(Hazardous Substances Data)

Usage

Physical state

White solid

Usage

Pharmaceutical intermediate in the synthesis of various drugs

Common use

Nonsteroidal anti-inflammatory drug (NSAID) to relieve pain, reduce fever, and decrease inflammation

Chemical structure

Contains a 4-isopropylphenyl group attached to a propionic acid moiety

Properties

Effective medication for a variety of common health conditions

InChI:InChI=1/C12H16O3/c1-8(2)10-4-6-11(7-5-10)15-9(3)12(13)14/h4-9H,1-3H3,(H,13,14)

Upstream product

• 71-36-3 butan-1-ol 

Relevant articles and documents

Metal ions dramatically enhance the enantioselectivity for lipase-catalysed reactions in organic solvents

We propose a simple and a powerful method to enhance the enantioselectivity for lipase-catalysed transformations in organic solvents by an addition of metal ion-containing water to the reaction mixture. In this paper, various metal ions such as LiCl or MgCl2 are tested to improve the enantioselectivity for the model reactions. The enantioselectivities obtained are dramatically enhanced, the E values of which are about 100-fold as compared with the ordinary conditions without a metal ion, for example, E = 200 by addition of LiCl. Furthermore, lowering the reaction temperature led to an almost perfect enantioselectivity of lipase in the presence of a metal ion, for example, E = 1300 by addition of LiCl. Also, a mechanism for the drastic enhancement by metal ions is discussed briefly on the basis of the EPR spectroscopic study and the initial rate for each enantiomer of the substrate. The Royal Society of Chemistry 2006.

Flexibility of lipase brought about by solvent effects controls its enantioselectivity in organic media

The behavior of the enantioselectivity of Candida rugosa lipase was studied in the esterification of 2-(4-substituted phenoxy)propionic acids with 1-butanol in aliphatic, aromatic, and ethereal solvents, (cyclohexane, heptane, toluene, benzene, isooctane, dibutylether, etc.). Changing the solvent from cyclohexane to tert-butyl methyl ether, the isotropic signal increased quickly and the spectral line narrowed in width. The enzyme enantioselectivity in organic solvents was mainly controlled by its flexibility. The enantioselectivity of lipase in organic solvents was closely correlated with the lipase flexibility brought about by the cooperative solvent effects rather than with a sole solvent property, e.g., dielectric constant and hydrophobicity.