549488-76-8

Basic information

• Product Name: 2-Amino-5-(1-methylethyl)benzonitrile
• Synonyms: Benzonitrile, 2-amino-5-(1-methylethyl)- (9CI);Benzonitrile, 2-amino-5-(1-methylethyl)-;2-Amino-5-(1-methylethyl)benzonitrile;2-amino-5-isopropylbenzonitrile;2-aMino-5-(propan-2-yl)benzonitrile
• CAS NO: 549488-76-8
• Molecular Formula: C₁₀H₁₂N₂
• Molecular Weight: 160.22
• Product Categories: ISOPROPYL
• Mol File: 549488-76-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 285.8 °C at 760 mmHg
• Flash Point: 126.6 °C
• Appearance: /
• Density: 1.04 g/cm³
• Refractive Index: 1.549
• Storage Temp.: 2-8°C(protect from light)
• PKA: 2.21±0.10(Predicted)
• CAS DataBase Reference: 2-Amino-5-(1-methylethyl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Amino-5-(1-methylethyl)benzonitrile(549488-76-8)
• EPA Substance Registry System: 2-Amino-5-(1-methylethyl)benzonitrile(549488-76-8)

Safety Data

• Hazardous Substances Data: 549488-76-8(Hazardous Substances Data)

Usage

General Description

2-Amino-5-(1-methylethyl)benzonitrile, also known simply by its CAS number 884495-63-0, is a chemical compound belonging to the category of organic compounds known as benzonitriles. Benzonitriles are compounds containing a benzene ring attached to a cyano functional group(C#N). This specific variant contains additional functional groups - an amino group (-NH2), and a 1-methylethyl or isopropyl group. The exact structure of this compound is therefore reflected in its name. It's commonly used in scientific research and in a wide variety of biological and chemical operations. Like other chemicals of its kind, handling should be performed with appropriate safety measures. Specific properties such as melting point, boiling point and solubility may vary based on its exact form or preparation. Its toxicity and environmental impact are not fully known, highlighting the importance of careful use and disposal.

InChI:InChI=1/C10H12N2/c1-7(2)8-3-4-10(12)9(5-8)6-11/h3-5,7H,12H2,1-2H3

Upstream product

• 51605-97-1 2-bromo-4-isopropylaniline 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 660861-95-0 5-isopropyl-2-(2-nitrophenylamino)benzonitrile 
• 612506-02-2 2-(4-fluoro-2-nitrophenylamino)-5-isopropylbenzonitrile 
• 660861-99-4 2-(5-fluoro-2-nitrophenylamino)-5-isopropylbenzonitrile 

Relevant articles and documents

PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES

Described herein are compounds of formula (I) wherein: is an optionally benzo-fused five or six member aromatic ring having zero to three hetero atoms independently selected from N, S, and O; Alk is (C1-4) alkylene or hydroxy substituted (C1-4) alkylene; X is oxygen or sulfur; R1 is hydrogen, (C1-6) fluoroalkyl, (C3-6) cycloalkyl, or (C1-4) alkyl, wherein the (C1-4) alkyl is unsubstituted or substituted with hydroxy, methoxy, ethoxy, OCH2CH2OH, or -CN; R2 is H, halogen, (C1-6) fluoroalkyl, (C1-6) cycloalkyl, OR4, SR4, N02, CN, COR4, C(O)OR4, CONR5R6 , NR5R6, S02NR5R6, NR5COR4, NR5SO2R4, optionally substituted aromatic, or (C1-6) alkyl, wherein (C1-6) alkyl is unsubstituted or substituted with a hydroxy group; R3 is hydrogen, (C1-6) fluoroalkyl, (C2-6) alkenyl, Ar, (C1-4)alkyl-Ar, or (C1-4) alkyl wherein (C1-4) alkyl is unsubsituted or substituted with a phenyl; R4 is hydrogen, (C1-6 alkyl, (C1-6) fluoroalkyl, or optionally substituted aromatic; R5 and R6 are independently hydrogen, (C1-6) alkyl, or optionally substituted aromatic, R7 is hydrogen, (C1-6) alkyl, (C1-6) fluoroalkyl, or optionally substituted aromatic; R8 and R9 are independently hydrogen, (C1-6) alkyl, or optionally substituted aromatic; Ar is optionally substituted phenyl, napthyl, monocyclic heteroaromatic or bicyclic heteroaromatic; Z1 and Z2 are independently selected from hydrogen, halogen, (C1-6) alkyl, (C1-6) fluoroalkyl, OR7, SR7, NO2, CN, COR7, CONR8R9, NR8R9, and optionally substituted aromatic; and all salts, solvates, optical and geometric isomers, and crystalline forms thereof. Also, described are the use of the compounds of formula (I) as antagonists of the dopamine D2 receptor and as agents for the treament of psychosis and bipolar disorders, and pharmaceutical formulations of the compounds of formula (I).