214623-57-1

Basic information

• Product Name: Benzonitrile, 5-amino-2-methoxy- (9CI)
• Synonyms: Benzonitrile, 5-amino-2-methoxy- (9CI);5-amino-2-methoxybenzonitrile;Albb-004948;5-amino-2-methoxybenzonitrile(SALTDATA: FREE);2-Methoxy-5-aMinobenzonitrile;3-Cyano-4-methoxyaniline
• CAS NO: 214623-57-1
• Molecular Formula: C₈H₈N₂O
• Molecular Weight: 148.16192
• Product Categories: AMINEPRIMARY;NITRILE
• Mol File: 214623-57-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: 100 °C
• Boiling Point: 347.5°C at 760 mmHg
• Flash Point: 163.9°C
• Appearance: /
• Density: 1.17g/cm³
• Vapor Pressure: 5.37E-05mmHg at 25°C
• Refractive Index: 1.569
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 3.39±0.10(Predicted)
• CAS DataBase Reference: Benzonitrile, 5-amino-2-methoxy- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 5-amino-2-methoxy- (9CI)(214623-57-1)
• EPA Substance Registry System: Benzonitrile, 5-amino-2-methoxy- (9CI)(214623-57-1)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 214623-57-1(Hazardous Substances Data)

Usage

Description

Benzonitrile, 5-amino-2-methoxy(9CI), also known as 5-amino-o-anisodine, is a chemical compound with the molecular formula C8H8N2O. It is a white to slightly yellow crystalline solid, characterized by a melting point of 52-57°C and a boiling point of 194-195°C. This versatile chemical serves as a valuable building block in the chemical industry, particularly in the synthesis of pharmaceuticals and agrochemicals.

Uses

Used in Pharmaceutical Industry:
Benzonitrile, 5-amino-2-methoxy(9CI) is used as an intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure allows for the production of a wide range of compounds, making it an essential component in the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical industry, Benzonitrile, 5-amino-2-methoxy(9CI) is utilized as an intermediate for the synthesis of various agrochemicals. Its versatility in chemical reactions contributes to the creation of effective compounds for agricultural applications.
It is crucial to handle Benzonitrile, 5-amino-2-methoxy(9CI) with care and follow safety guidelines due to its potential hazards. Proper handling and storage are essential to ensure the safety of individuals and the environment.

InChI:InChI=1/C8H8N2O/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,10H2,1H3

Upstream product

• 10496-75-0 2-methoxy-5-nitrobenzylnitrile 
• 611-20-1 salicylonitrile 
• 39835-09-1 5-nitro-2-hydroxybenzonitrile 

Downstream Products

• 933672-32-3 5-iodo-2-methoxybenzonitrile 
• 1350730-08-3 2-methoxy-5-[5-(3-morpholin-4-ylphenoxy)-pyrimidin-2-ylamino]-benzonitrile 

Relevant articles and documents

Design, synthesis, and biological evaluation of 5-(4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)benzonitrile derivatives as xanthine oxidase inhibitors

A series of 5-(4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)benzonitrile derivatives (1a–p) was designed, synthesized, and identified as xanthine oxidase inhibitors with micromolar level potencies. Among them, the most promising compounds 1j and 1k were obtained with IC50 values of 8.1 and 6.7?μm, respectively. The Lineweaver–Burk plot revealed that compound 1k acted as a mixed-type xanthine oxidase inhibitor. SAR analysis revealed that a carbon atom occupying the X3 position is not as effective as a nitrogen atom, and an iso-pentyloxy or a cyclopentyloxy at the 2-position of benzonitrile moiety will benefit the inhibitory potency. The basis of xanthine oxidase inhibition by 1k was rationalized by molecular modeling studies.

1-substituted phenyl-1H-1,2,3-triazole compound as well as preparation method and application thereof

The invention relates to a 1-substituted phenyl-1H-1,2,3-triazole compound, in particular to a compound applicable to preparation of anti-gout drugs and a preparation method of the compound, and belongs to the field of medicines. The compound is as shown in the general formula, wherein each R1 is independent alkyl of 1-10 carbons, 3-10 carbon atom naphthenic bases, allyl, methoxy ethyl, benzyl and substituted benzyl; substituted benzyl can be p-halogenated benzyl, p-cyano benzyl and p-alkoxy benzyl; each R2 is independent H or methyl; each R3 is independent H or ethyl. Experimental results show that the compound has a good effect in the in-vitro xanthine oxidase inhibition activity test.