4395-87-3

Basic information

• Product Name: 4-ISOPROPYLPHENYLACETONITRILE
• Synonyms: 4-ISOPROPYLPHENYLACETONITRILE;4-ISOPROPYL BENZYL ACETONITRILE, 99%;Benzeneacetonitrile, 4-(1-methylethyl)- (9CI);4-ISOPROPYL PHENYL ACETONITRILE 99%;4-Isopropylphenylacetonitrile, 98+%;2-(4-isopropylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)ethanenitrile;Benzeneacetonitrile, 4-(1-methylethyl)-
• CAS NO: 4395-87-3
• Molecular Formula: C₁₁H₁₃N
• Molecular Weight: 159.23
• Product Categories: ISOPROPYL;C10 to C27;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 4395-87-3.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 85-90 °C0.2 atm(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.960 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0118mmHg at 25°C
• Refractive Index: n20/D 1.5125(lit.)
• Storage Temp.: 2-8°C
• BRN: 155941
• CAS DataBase Reference: 4-ISOPROPYLPHENYLACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ISOPROPYLPHENYLACETONITRILE(4395-87-3)
• EPA Substance Registry System: 4-ISOPROPYLPHENYLACETONITRILE(4395-87-3)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 23-24/25
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 4395-87-3(Hazardous Substances Data)

Usage

General Description

4-Isopropylphenylacetonitrile is an organic chemical compound with the molecular formula C11H13NO. It is a colorless to pale yellow liquid with a faint aromatic odor. This chemical is used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It is also used as a flavoring agent in the food industry. 4-Isopropylphenylacetonitrile is considered to be a moderately hazardous chemical, and proper safety precautions should be taken when handling and storing it.

InChI:InChI=1/C11H13N/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,9H,7H2,1-2H3

Upstream product

• 117135-20-3 (4-isopropyl-phenyl)-acetaldehyde-oxime 
• 151-50-8 potassium cyanide 
• 2051-18-5 4-isopropylbenzyl chloride 
• 143-33-9 sodium cyanide 
• 311-28-4 tetra-(n-butyl)ammonium iodide 
• 773837-37-9 sodium cyanide 
• 99-87-6 4-methylisopropylbenzene 
• 73789-86-3 4-i-propylbenzyl bromide 
• 536-60-7 cuminol 

Downstream Products

• 100-21-0 terephthalic acid 
• 501-89-3 4-(carboxymethyl)benzoic acid 
• 14062-21-6 (4-isopropylphenyl)acetic acid ethyl ester 
• 4476-28-2 (4-isopropylphenyl)acetic acid 
• 116435-80-4 (4-isopropyl-phenyl)-acetic acid amide 
• 84558-03-2 2-(4-isopropylphenyl)ethanamine 
• 127581-27-5 4-Amino-1-(4-isopropyl-phenyl)-cyclohex-3-ene-1,3-dicarbonitrile 
• 103-95-7 cyclamenaldehyde 
• 855151-22-3 2,3-epoxy-4-(4-isopropyl-phenyl)-3-methyl-butyric acid ethyl ester 
• 106112-20-3 2-(4-isopropylphenyl)propanenitrile 
• 885952-73-8 N-hydroxy-2-(4-isopropyl-phenyl)-acetamidine 
• 124284-57-7 2-(4-isopropylphenyl)butyronitrile 
• 51632-20-3 α-Isopropyl-4-isopropylphenylacetonitril 
• 127581-22-0 γ-cyano-γ-(p-isopropylphenyl)pimelonitrile 

Relevant articles and documents

INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS

There is provided according to the invention novel compounds of Formula (I) or pharmaceutically acceptable salts or solvates thereof: (I) useful as PPAR activators.

5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF

The present invention relates to a 5-amidino-2-hydroxybenzenesulfonamide derivative represented by the general formula: wherein R1 is an optionally substituted lower alkyl group, an optionally substituted lower alkoxy group, an optionally substituted lower alkenyl group, a cycloalkyl group or a lower acyl group etc.; Q is a hydrogen atom or an optionally substituted lower alkyl group; and Z is a hydrogen atom or a hydroxy group etc., or a pharmaceutically acceptable salt thereof, which exert a potent and selective activated blood coagulation factor X inhibitory activity and is useful as an agent for the prevention or treatment of a disease occurred associating an activated blood coagulation factor X, a pharmaceutical composition comprising the same and an intermediate thereof. These compounds are useful as preventives or remedies for various diseases such as brain infarction, cerebral thrombosis, cerebral embolism, TIA, cerebral vascular jerk, Alzheimer's diseases, myocardial infarction, heart attack, heart failure, thrombosis, pulmonary infarction and pulmonary embolism.

Conformational analysis of some 5-substituted 5H-dibenzo[a,d]-cycloheptenes

Conformations and inversion barriers of 5H-dibenzo[a,d]cycloheptene (1a), 5-amino-5H-dibenzo[a,d]cycloheptene (1b), 5-chloro-5H-dibenzo[a,d]cycloheptene (1e), 5-hydroxy-5H-dibenzo[a,d]cycloheptene (1d), 5-methyl-5H-dibenzo[a,d]cycloheptene (1f), N-benzyl-5H-dibenzo[a,d]cyclohepten-5-imine (2) and N-(5H-dibenzo[a,d]cyclohepten-5-yl)benzylideneamine (1c) have been studied by means of dynamic nuclear magnetic resonance spectroscopy (DNMR) techniques, and comparison of the experimentally derived thermodynamic parameters was made with MM3, PM3 and ab initio calculated results. Attempts to determine the inversion barrier of 3-isopropyl-5H-dibenzo[a,d]cyclohepten-5-one (3) failed.