33720-71-7

Basic information

• Product Name: Benzonitrile, 5-acetyl-2-amino- (9CI)
• Synonyms: 4-aMino-3-cyanoacetophenone;5-Acetyl-anthranilonitrile;Acetyl-2-aMinobenzonitrile;2-Amino-5-acetylbenzonitrile;Benzonitrile, 5-acetyl-2-amino- (9CI);Benzonitrile,5-acetyl-2-amino-;5-Acetyl-2-aMinobenzonitrile
• CAS NO: 33720-71-7
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.17262
• Product Categories: Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals;ACETYLGROUP;Amines
• Mol File: 33720-71-7.mol
• Article Data: 8

Chemical Properties

• Melting Point: 159-161°C
• Boiling Point: 375℃
• Flash Point: 180℃
• Appearance: Yellow Solid
• Density: 1.20
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Methanol (Slightly, Heated)
• PKA: -0.62±0.10(Predicted)
• CAS DataBase Reference: Benzonitrile, 5-acetyl-2-amino- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 5-acetyl-2-amino- (9CI)(33720-71-7)
• EPA Substance Registry System: Benzonitrile, 5-acetyl-2-amino- (9CI)(33720-71-7)

Safety Data

• Hazardous Substances Data: 33720-71-7(Hazardous Substances Data)

Usage

Chemical Properties

Yellow Solid

Uses

Cimaterol intermediate.

Upstream product

• 56759-32-1 1-(4-amino-3-bromophenyl)-ethanone 
• 99-92-3 p-aminobenzophenone 
• 557-21-1 dicyanozinc 
• 97776-06-2 4-acetyl-2-iodoaniline 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 1246819-04-4 D₉-cimbuterol 
• 56340-69-3 2-Amino-5-[2-(2-benzo[1,3]dioxol-5-yl-1-methyl-ethylamino)-acetyl]-3-chloro-benzonitrile 
• 88167-51-5 2-amino-5-(2-bromoacetyl)-3-chlorobenzonitrile 
• 56340-51-3 1-(4'-amino-3'-bromo-5'-cyanophenyl)-2-cyclopentylamino-ethanol 
• 95656-79-4 1-(4'-Amino-3'-chloro-5'-cyano-phenyl)-2-cyclopentylamino-ethanol 
• 56340-49-9 1-(4'-amino-3'-bromo-5'-cyano-phenyl)-2-cyclobutylamino-ethanol 
• 97760-67-3 1-(4-amino-3-bromo-5-cyano-phenyl)-2-cyclopropylamino-ethanol 
• 97760-64-0 2-Amino-3-chloro-5-[1-hydroxy-2-(2-hydroxy-1,1-dimethyl-ethylamino)-ethyl]-benzonitrile 
• 95656-74-9 1-(4'-Amino-3'-chloro-5'-cyano-phenyl)-2-propylamino-ethanol 
• 95656-76-1 1-(4'-Amino-3'-chloro-5'-cyano-phenyl)-2-sec.butylamino-ethanol 
• 56340-53-5 1-(4'-amino-3'-bromo-5'-cyano-phenyl)-2-tert-pentylamino-ethanol 
• 95656-78-3 1-(4'-Amino-3'-chloro-5'-cyano-phenyl)-2-tert-pentylamino-ethanol 
• 54239-38-2 1-(4'-Amino-3'-bromo-5'-cyano-phenyl)-2-isopropylamino-ethanol 
• 54239-40-6 1-(4'-amino-3'-bromo-5'-cyano-phenyl)-2-tert-butylamino-ethanol 

Relevant articles and documents

Efficient synthesis of D6-clenproperol and D6-cimaterol using deuterium isopropylamine as labelled precursor

This report presents an efficient synthesis of D6-clenproperol and D6-cimaterol with 99.5% and 99.7% isotopic abundance in acceptable yields and excellent chemical purities with deuterium isopropylamine as labelled precursor. Their structures and the isotope-abundance were confirmed by proton nuclear magnetic resonance and liquid chromatography–mass spectrometry.

Synthesis of stable isotope labeled D9-Mabuterol, D9-Bambuterol, and D9-Cimbuterol

Three stable and simple synthetic routes of labeled D9-Mabuterol, D9-Bambuterol, and D9-Cimbuterol were described with 98.5%, 99.7%, and 98.4% isotopic abundance and good purity. These structures and isotope-abundance were confirmed according to 1H NMR and liquid chromatography-tandem mass spectrometry.

An improved procedure for aromatic cyanation

An effective method for conversion of aryl bromides to aryl cyanides is described. The procedure involves treatment of the aryl halide with zinc cyanide in the presence of a catalytic amount of palladium (0).