17413-79-5

Basic information

• Product Name: 2-(2-CHLOROPHENOXY)-2-METHYLPROPIONICACID
• Synonyms: 2-(2-CHLOROPHENOXY)-2-METHYLPROPIONICACID;Propanoic acid, 2-(2-chlorophenoxy)-2-Methyl-;Acide (o-chlorophenoxy)-2 methyl-2 propionique;Acide (o-chlorophenoxy)-2 methyl-2 propionique [French];o-Chlorophenoxyisobutyric acid;Propanoic acid, 2-(2-chlorophenoxy)-2-methyl- (9CI);Propionic acid, 2-(o-chlorophenoxy)-2-methyl-
• CAS NO: 17413-79-5
• Molecular Formula: C₁₀H₁₁ClO₃
• Molecular Weight: 214.65
• EINECS: 208-839-6
• Mol File: 17413-79-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: 75-76 °C
• Boiling Point: 321.6°Cat760mmHg
• Flash Point: 148.3°C
• Appearance: /
• Density: 1.265g/cm³
• Vapor Pressure: 0.000122mmHg at 25°C
• Refractive Index: 1.54
• PKA: 3.16±0.10(Predicted)
• CAS DataBase Reference: 2-(2-CHLOROPHENOXY)-2-METHYLPROPIONICACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-CHLOROPHENOXY)-2-METHYLPROPIONICACID(17413-79-5)
• EPA Substance Registry System: 2-(2-CHLOROPHENOXY)-2-METHYLPROPIONICACID(17413-79-5)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36
• Hazardous Substances Data: 17413-79-5(Hazardous Substances Data)

Usage

General Description

2-(2-Chlorophenoxy)-2-methylpropionic acid is a chemical compound with the molecular formula C10H11ClO3. It is a derivative of propionic acid and contains a chlorophenyl group. This chemical is commonly used in the production of pharmaceuticals and agrochemicals. It has anti-inflammatory properties and is often used as a nonsteroidal anti-inflammatory drug (NSAID) to help reduce pain and inflammation. Additionally, it is used in the synthesis of various organic compounds and as a building block in pharmaceutical research.

InChI:InChI=1/C10H11ClO3/c1-10(2,9(12)13)14-8-6-4-3-5-7(8)11/h3-6H,1-2H3,(H,12,13)

Upstream product

• 600-00-0 ethyl 2-bromoisobutyrate 
• 1193-00-6 sodium 4-chlorophenolate 
• 95-57-8 2-monochlorophenol 
• 2052-01-9 2-bromo-2-methylpropionic acid 

Downstream Products

• 59227-81-5 ethyl 2-(2-chlorophenoxy)-2-methylpropionate 
• 76410-72-5 α-(2-chloro-phenoxy)-isobutyric acid amide 
• 4878-09-5 2-(2-chlorophenoxy)-2-methylpropionyl chloride 
• 58327-16-5 2-(2-Chloro-phenoxy)-2-methyl-propionic acid 3,3,5-trimethyl-cyclohexyl ester 
• 116762-29-9 2-(2-chlorophenoxy)-2-methyl-propionyl-cyanomethylenetriphenylphosphorane 

Relevant articles and documents

Liquid-phase synthesis of 2-methyl-2-aryloxypropanoic acid derivatives from poly(ethylene glycol) supported 2-bromo-2-methylpropanoate

An efficient liquid-phase synthesis of 2-methyl-2-aryloxypropanoic acid derivatives with good yields and high purity on soluble polyethylene glycol (PEG) has been developed by treatment of PEG-bound 2-bromo-2-methylpropanoate with phenoxides in the presence of a catalytic amount of NBu4I and KI, and subsequent cleavage from the PEG.

Pd(II)-catalyzed ortho - Or meta-C-H olefination of phenol derivatives

A combination of weakly coordinating auxiliaries and ligand acceleration allows for the development of both ortho- and meta-selective C-H olefination of phenol derivatives. These reactions demonstrate the feasibility of directing C-H functionalizations when functional groups are distal to target C-H bonds. The meta-C-H functionalization of electron-rich phenol derivatives is unprecedented and orthogonal to previous electrophilic substitution of phenols in terms of regioselectivity. These methods are also applied to functionalize α-phenoxyacetic acids, a fibrate class of drug scaffolds.