62049-65-4

Basic information

• Product Name: 1-(1-chloroethyl)-4-isobutylbenzene
• Synonyms: 1-(1-chloroethyl)-4-isobutylbenzene;1-(4-Isobutylphenyl)ethyl chloride;1-Isobutyl-4-(1-chloroethyl)benzene;4-(2-Methylpropyl)-1-(1-chloroethyl)benzene;4-Isobutyl-α-methylbenzyl chloride;α-Methyl-4-isobutylbenzyl chloride
• CAS NO: 62049-65-4
• Molecular Formula: C₁₂H₁₇Cl
• Molecular Weight: 196.71638
• EINECS: 263-391-9
• Mol File: 62049-65-4.mol
• Article Data: 9

Chemical Properties

• Melting Point: 59-60 °C
• Boiling Point: 260.1°C at 760 mmHg
• Flash Point: 103.6°C
• Appearance: /
• Density: 0.98g/cm³
• Vapor Pressure: 0.0202mmHg at 25°C
• Refractive Index: 1.504
• CAS DataBase Reference: 1-(1-chloroethyl)-4-isobutylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1-chloroethyl)-4-isobutylbenzene(62049-65-4)
• EPA Substance Registry System: 1-(1-chloroethyl)-4-isobutylbenzene(62049-65-4)

Safety Data

• Hazardous Substances Data: 62049-65-4(Hazardous Substances Data)

Usage

General Description

1-(1-chloroethyl)-4-isobutylbenzene is a chemical compound with the molecular formula C12H17Cl. It is a colorless liquid with a faint odor, and is commonly used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. The compound is known for its potential use in the production of pesticides, herbicides, and other agricultural chemicals. 1-(1-chloroethyl)-4-isobutylbenzene is also used in the manufacturing of plastics, resins, and other industrial products. It is important to handle this chemical with care, as it is known to be a skin and eye irritant and may also be harmful if inhaled or ingested. Proper safety precautions should be taken to prevent exposure to this chemical.

InChI:InChI=1/C12H17Cl/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9-10H,8H2,1-3H3

Upstream product

• 38861-78-8 1-(4-isobutyl-phenyl)-ethanone 
• 538-93-2 1-phenyl-2-methylpropane 
• 75-07-0 acetaldehyde 
• 608119-17-1 l-(4-isobutylphenyl)ethanesulfonic acid 
• 40150-92-3 1-(4-isobutylphenyl)ethanol 

Downstream Products

• 15687-27-1 ibuprofen 
• 86618-05-5 tert-butyl 2-(4-isobutylphenyl)propanoate 
• 63444-56-4 p-isobutylstyrene 
• 100319-40-2 1-ethyl-4-(2-methylpropyl)benzene 
• 58609-73-7 2-(4-isobutylphenyl)propanenitrile 
• 40150-92-3 1-(4-isobutylphenyl)ethanol 
• 156248-14-5 1-(1-isopropoxyethyl)-4-isobutylbenzene 
• 40764-03-2 3-(4-i-butyl-phenyl)-propanal 
• 51407-46-6 2-(4-isobutylphenyl)propionaldehyde 
• 65322-85-2 3-(4'-isobutylphenyl)propionic acid 

Relevant articles and documents

CONTINUOUS FLOW SYNTHESIS OF IBUPROFEN

This disclosure generally relates to methods of making ibuprofen, naproxen, and derivatives thereof. This disclosure also generally relates to compounds made by the disclosed methods. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

MgCl2-accelerated addition of functionalized organozinc reagents to aldehydes, ketones, and carbon dioxide

Figure Presented Pump it up! The sluggish reactivity of organozinc reagents in additions to aldehydes, ketones, and CO2 can be increased by MgCl2, which is usually generated in the preparation of the zinc reagent. The direct reaction with CO2, in particular, opens an expeditious route to phenylacetic acid derivatives, as demonstrated in a short synthesis of ibuprofen (see scheme).

Process for the carbonylation of arylalkyl halides

A method is provided for the preparation of alpha-aryl-propionic acids such as ibuprofen by carbonylating the corresponding 1-arylethyl halide in an acidic aqueous medium containing a palladium catalyst. In the preparation of ibuprofen, 1-(4′-isobutylphenyl)ethyl halide is reacted with carbon monoxide in an acidic aqueous medium containing a palladium catalyst.