42288-54-0

Basic information

• Product Name: (3,5-ditert-butylphenyl)acetic acid
• Synonyms: (3,5-ditert-butylphenyl)acetic acid;2-(3,5-DITERT-BUTYLPHENYL)ACETIC ACID;Benzeneacetic acid, 3,5-bis(1,1-diMethylethyl)-
• CAS NO: 42288-54-0
• Molecular Formula: C₁₆H₂₄O₂
• Molecular Weight: 248.36
• Mol File: 42288-54-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 319.0±11.0 °C(Predicted)
• Appearance: /
• Density: 0.992±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 4.31±0.10(Predicted)
• CAS DataBase Reference: (3,5-ditert-butylphenyl)acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (3,5-ditert-butylphenyl)acetic acid(42288-54-0)
• EPA Substance Registry System: (3,5-ditert-butylphenyl)acetic acid(42288-54-0)

Safety Data

• Hazardous Substances Data: 42288-54-0(Hazardous Substances Data)

Usage

General Description

(3,5-ditert-butylphenyl)acetic acid is a chemical compound with the molecular formula C14H20O2. It is a white crystalline powder that is insoluble in water but soluble in organic solvents. (3,5-ditert-butylphenyl)acetic acid is often used as a reagent in organic synthesis and as an intermediate in the production of various pharmaceuticals and agrochemicals. It is also used as a chiral auxiliary in asymmetric synthesis and as a ligand in catalysis. Additionally, (3,5-ditert-butylphenyl)acetic acid has potential applications in the development of new materials and for pharmaceutical screening. However, it should be handled with caution as it may cause skin and eye irritation.

Upstream product

• 77387-58-7 2-[3,5-di-(tert-butyl)phenyl]acetonitrile 
• 36720-94-2 1,3-di-tert-butyl-5-ethynylbenzene 
• 15181-11-0 3, 5-di-tert-butyltoluene 
• 62938-08-3 3,5-di-tert-butylbenzyl bromide 

Downstream Products

• 79726-40-2 2-(3,5-Di-tert-butylphenyl)essigsaeure-methylester 
• 77387-59-8 3,5-Di-tert-butylphenylacetylchlorid 
• 858859-67-3 2-(3,5-di-tert-butylphenyl)ethanol 
• 858859-68-4 toluene-4-sulfonic acid 2-(3,5-di-tert-butyl-phenyl)-ethyl ester 
• 858859-76-4 5-{4-[2-(3,5-di-tert-butyl-phenyl)-ethoxy]-phenyl}-[1,8]naphthyridin-2-ylamine 
• 858859-71-9 4-{4-[2-(3,5-di-tert-butyl-phenyl)-ethoxy]-phenyl}-N²-(4-methoxy-benzyl)-[1,8]naphthyridine-2,7-diamine 
• 858859-73-1 1-(7-amino-5-{4-[2-(3,5-di-tert-butyl-phenyl)-ethoxy]-phenyl}-[1,8]naphthyridin-2-yl)-3-butyl-urea 
• 858859-72-0 1-butyl-3-[5-{4-[2-(3,5-di-tert-butyl-phenyl)-ethoxy]-phenyl}-7-(4-methoxy-benzylamino)-[1,8]naphthyridin-2-yl]-urea 
• 1248682-78-1 ((1R,3S)-5-iodo-6,8-dimethoxy-1-methyl-2-tosyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl 2-(3,5-di-tert-butylphenyl)acetate 
• 79726-42-4 2-(3,5-Di-tert-butylphenyl)-2-phenoxyessigsaeure-methylester 
• 79726-43-5 2-(3,5-Di-tert-butylphenyl)-2-phenoxyacetamid 
• 79726-39-9 2-(3,5-Di-tert-butylphenyl)-2-phenoxy-acetonitril 

Relevant articles and documents

Oxidation of Alkynyl Boronates to Carboxylic Acids, Esters, and Amides

A general efficient protocol was developed for the synthesis of carboxylic acids, esters, and amides through oxidation of alkynyl boronates, generated directly from terminal alkynes. This protocol represents the first example of C(sp)?B bond oxidation. This approach displays a broad substrate scope, including aryl and alkyl alkynes, and exhibits excellent functional group tolerance. Water, primary and secondary alcohols, and amines are suitable nucleophiles for this transformation. Notably, amino acids and peptides can be used as nucleophiles, providing an efficient method for the synthesis and modification of peptides. The practicability of this methodology was further highlighted by the preparation of pharmaceutical molecules.

CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA]

The invention provides modulators for the orphan nuclear receptor RORy and methods for treating RORy mediated diseases by administering these novel RORy modulators to a human or a mammal in need thereof. Specifically, the present invention provides carboxamide or sulfonamide containing cyclic compounds of Formula (1), (1'), (100), (100'), (200) and (200') and the enantiomers, diastereomers, tautomers, /V-oxides, solvates and pharmaceutically acceptable salts thereof.

ESR Spectroscopic Studies of Donor-Acceptor-Substituted Carbon Radicals

The radicals 2, 3a, 4, and 12 as well as 3b, and 17 were generated for ESR spectroscopic studies either by hydrogen abstraction with aminyl radicals or by oxidation with lead dioxide.Hydrogen abstraction from 5 did not give 6 but a secondary radical 7.Radical 16 was formed by reduction of the corresponding pyridinium iodide by zinc, whereas reduction of 13, and 8 afforded the radicals 15, and 11, respectively.The analysis of the ESR spectra allowed the determination of the spin density at various positions of these radicals.Furthermore, theoretical calculations of spin density - performed also for the radicals 1a and b, 21 and 22 - revealed the spin density distribution within the amino(cyano)alkyl group and the effects of further substituents on this.