4-Isobutoxyisophthalonitrile

4-Isobutoxyisophthalonitrile - Names and Identifiers

Name	4-Isobutyloxy-1,3-benzenedicarbonitrile
Synonyms	Febuxostat-14 4-Isobutoxyisophthalonitrile 4-isobutoxy-3-cyanobenzonitrile 4-Isobutyloxy-1,3-benzenedicarbonitrile 4-(2-Methylpropoxy)-1,3-benzenedicarbonitrile 4-(2-methylpropoxy)benzene-1,3-dicarbonitrile 1,3-Benzenedicarbonitrile,4-(2-Methylpropoxy)-
CAS	161718-81-6
EINECS	213-210-4
InChI	InChI=1/C12H12N2O/c1-9(2)8-15-12-4-3-10(6-13)5-11(12)7-14/h3-5,9H,8H2,1-2H3

4-Isobutoxyisophthalonitrile - Physico-chemical Properties

Molecular Formula	C12H12N2O
Molar Mass	200.24
Density	1.09
Melting Point	128-132 ºC
Boling Point	345.5±22.0 °C(Predicted)
Flash Point	140.646°C
Vapor Presure	0mmHg at 25°C
Storage Condition	2-8°C
Refractive Index	1.528

4-Isobutoxyisophthalonitrile - Introduction

4-Isobutyloxy-1,3-benzenedicarbonitril (IBOF) is a commonly used chemical synthesis intermediate. The following is a description of the nature, use, preparation and safety information of IBOF:

Nature:
- IBOF is a colorless to light yellow liquid with a special smell.
-Its density is about 0.96 g/mL and its boiling point is about 234-235°C.
- IBOF has two interconnected benzene rings in its chemical structure, one of which is also connected to a cyano group (-C≡N) and an isobutoxy (-OCH(CH3)2) group.

Use:
- IBOF is mainly used as an intermediate in the synthesis of pesticides and pharmaceutical compounds.
-It can be used as an important raw material for the synthesis of plant growth regulators, fungicides and pesticides.
- IBOF is also used as a catalyst in the synthesis of dyes, polymer compounds and other organic synthesis reactions.

Method:
The preparation method of-IBOF usually involves esterification and cyanation of isobutoxybenzoic acid.
-First, P-isobutoxy benzoic acid is reacted with an appropriate alcohol (such as isobutanol) to generate 4-isobutoxy benzoate.
-Then, 4-isobutoxybenzoic acid ester is reacted with a cyanide reagent (such as sodium cyanide) to generate 4-isobutoxy-1, 3-benzenedicarbonitril.

Safety Information:
- IBOF is irritating and should avoid skin contact and inhalation.
-wear protective gloves, safety glasses and a protective mask when using or handling IBOF.
-When using IBOF in a laboratory or industrial environment, you should strictly follow the correct operating procedures and related safety measures.
-Abandoned or leaked IBOF should be properly disposed of in accordance with local regulations and guidelines.

Last Update：2024-04-09 21:01:54