676621-96-8

Basic information

• Product Name: 3-(4-Fluorophenyl)-2,2-diMethylpropanoic acid
• Synonyms: 3-(4-Fluorophenyl)-2,2-diMethylpropanoic acid;4-Fluoro-a,a-dimethylbenzenepropanoic acid
• CAS NO: 676621-96-8
• Molecular Formula: C11H13FO2
• Molecular Weight: 196.2181232
• Mol File: 676621-96-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 293.7±15.0 °C(Predicted)
• Appearance: /
• Density: 1.149±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 4.72±0.13(Predicted)
• CAS DataBase Reference: 3-(4-Fluorophenyl)-2,2-diMethylpropanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-Fluorophenyl)-2,2-diMethylpropanoic acid(676621-96-8)
• EPA Substance Registry System: 3-(4-Fluorophenyl)-2,2-diMethylpropanoic acid(676621-96-8)

Safety Data

• Hazardous Substances Data: 676621-96-8(Hazardous Substances Data)

Usage

Uses

3-(4-Fluorophenyl)-2,2-dimethylpropanoic acid is used as a reactant in the preparation of β-arylation of carboxamides via iron-catalyzed C(sp3)-H bond activation.

Upstream product

• 547-63-7 Methyl isobutyrate 
• 459-46-1 4-Fluorobenzyl bromide 
• 1228320-14-6 methyl 2-(4-methoxybenzyl)-2-methylpropanoate 
• 676621-95-7 3-(4-Fluorophenyl)-2,2-dimethyl-propionic Acid Ethyl Ester 

Downstream Products

• 1623774-87-7 N-(2-[1-benzyl-1H-1,2,3-triazol-4-yl]propan-2-yl)-3-(4-fluorophenyl)-2,2-dimethylpropanamide 
• 1623774-93-5 2-benzyl-N-(2-[1-benzyl-1H-1,2,3-triazol-4-yl]propan-2-yl)-3-(4-fluorophenyl)-2-methylpropanamide 

Relevant articles and documents

Palladium-catalyzed 2-pyridylmethyl-directed β-C(sp3)–H activation and cyclization of aliphatic amides with gem-dibromoolefins: A rapid access to γ-lactams

The direct Pd-catalyzed β-C(sp3)–H activation and cyclization of aliphatic amides bearing a removable 2-pyridylmethyl directing group with gem-dibromoolefins is described for the first time to construct a variety of γ-lactams. The resulting products with Z- and E-configurations can be easily separated and purified after the reaction, demonstrating the effectiveness and applicability of the method herein developed.

β-Arylation of carboxamides via iron-catalyzed C(sp3)-H bond activation

A 2,2-disubstituted propionamide bearing an 8-aminoquinolinyl group as the amide moiety can be arylated at the β-methyl position with an organozinc reagent in the presence of an organic oxidant, a catalytic amount of an iron salt, and a biphosphine ligand at 50 C. Various features of selectivity and reactivity suggest the formation of an organometallic intermediate via rate-determining C-H bond cleavage rather than a free-radical-type reaction pathway.

N-substituted heterocyclic amines as modulators of chemokine receptor activity

The present application describes modulators of chemokine receptors of formula (I): or pharmaceutically acceptable salt forms thereof, useful for the prevention of asthma and other allergic diseases.