639863-75-5

Basic information

• Product Name: 4-isobutyloxybenzyl isocyanate
• Synonyms: 4-isobutyloxybenzyl isocyanate;4-isobutyloxybenzyl isocyate;4-Isobutoxybenzyl isocyanate
• CAS NO: 639863-75-5
• Molecular Formula: C₁₂H₁₅NO₂
• Molecular Weight: 205.253
• Mol File: 639863-75-5.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 294.0±23.0 °C(Predicted)
• Appearance: /
• Density: 1.00±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 4-isobutyloxybenzyl isocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-isobutyloxybenzyl isocyanate(639863-75-5)
• EPA Substance Registry System: 4-isobutyloxybenzyl isocyanate(639863-75-5)

Safety Data

• Hazardous Substances Data: 639863-75-5(Hazardous Substances Data)

Usage

General Description

4-isobutyloxybenzyl isocyanate is a chemical compound classified under organic isocyanates. It is an ester due to its functional group, and is derived from isobutanol and benzoic acid. These compounds typically have strong odours and are known to react with compounds containing hydroxyl groups. One of the main uses of isocyanates in general is in the production of polyurethane products. As with any isocyanate, proper handling is necessary due to its reactivity and potential health hazards. There is limited information regarding its specific physical and chemical properties and it doesn't seem to be widely used or produced.

Upstream product

• 13362-94-2 2-[4-(2-methylpropoxy)phenyl]acetic acid 
• 75-44-5 phosgene 
• 123-08-0 4-hydroxy-benzaldehyde 
• 18962-07-7 4-isobutoxybenzaldehyde 
• 882035-15-6 4-isobutyloxybenzaldehyde oxime 
• 4734-09-2 1-[4-(2-methylpropyloxy)phenyl]methanamine 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 5203-15-6 4-(2-methylpropoxy)benzonitrile 
• 767-00-0 4-cyanophenol 
• 14199-15-6 Methyl 4-hydroxyphenylacetate 
• 639863-90-4 2-[4-(2-methylpropoxy)phenyl]acetyl chloride 
• 24424-99-5 di-tert-butyl dicarbonate 
• 1194-02-1 4-fluorobenzonitrile 
• 459-57-4 4-fluorobenzaldehyde 

Downstream Products

• 639863-76-6 N-(4-fluorobenzyl)-N-[1-(trifluoroacetyl)piperidin-4-yl]-N'-(4-isobutyloxybenzyl)carbamide 
• 706779-91-1 N-(1-methylpiperidin-4-yl)-N-(4-fluorophenylmethyl)-N′-(4-(2-methylpropyloxyl)phenylmethyl)carbamide 
• 706782-28-7 Pimavanserin tartrate 
• 639863-77-7 1-(4-fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(piperidin-4-yl)urea 

Relevant articles and documents

Method for continuously preparing pimavanserin by using micro-channel reactor

The invention discloses a method for continuously preparing pimavanserin by using a micro-channel reactor. The method comprises the following steps: dissolving a reaction substrate in an organic solvent, pumping the material solution into a micro-channel reactor by using a feeding pump, sufficiently mixing, and carrying out continuous Curtius rearrangement and addition reaction to obtain the pimavanserin. According to the invention, the micro-channel reactor is adopted for reaction, so that the mixing uniformity is good, the reaction time is shortened, and the operation is simple and safe; andthe environmental pollution is obviously reduced.

COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES

The present disclosure relates to compounds according to Formula (I), useful for treating diseases.

An improved process for the preparation of pimavanserin tartrate

A practical synthetic route to pimavanserin tartrate, in which the target compound was obtained with 99.84% purity and in 46% total yield via a 5-step synthesis starting from 4-hydroxybenzaldehyde and (4-fluorophenyl)methanamine, is reported. The main advantages of the route include inexpensive starting materials, mild reaction conditions and an acceptable overall yield.