56643-85-7

Basic information

• Product Name: 4-(1H-Imidazol-1-ylmethyl)aniline
• Synonyms: 4-IMIDAZOL-1-YLMETHYL-PHENYLAMINE;4-(1H-IMIDAZOL-1-YLMETHYL)ANILINE;TIMTEC-BB SBB003818;4-[(1H-Imidazol-1-yl)methyl]aniline 97+%;4-IMIDAZOL-1-YLMETHYLPHENYLAMINE, 95+%;1-(4-Aminobenzyl)-1H-imidazole;1-(4-Aminobenzyl)imidazole;4-[(1-IMidazolyl)Methyl]aniline
• CAS NO: 56643-85-7
• Molecular Formula: C₁₀H₁₁N₃
• Molecular Weight: 173.21
• Mol File: 56643-85-7.mol
• Article Data: 20

Chemical Properties

• Melting Point: 128-130
• Boiling Point: 387.6 °C at 760 mmHg
• Flash Point: 188.2 °C
• Appearance: /
• Density: 1.16g/cm³
• Vapor Pressure: 3.26E-06mmHg at 25°C
• Refractive Index: 1.622
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 7.01±0.10(Predicted)
• CAS DataBase Reference: 4-(1H-Imidazol-1-ylmethyl)aniline(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(1H-Imidazol-1-ylmethyl)aniline(56643-85-7)
• EPA Substance Registry System: 4-(1H-Imidazol-1-ylmethyl)aniline(56643-85-7)

Safety Data

• Hazard Codes: C,Xi
• Statements: 20/21/22-34-41
• Safety Statements: 22-26-36/37/39-45-39
• HazardClass: IRRITANT
• Hazardous Substances Data: 56643-85-7(Hazardous Substances Data)

Usage

General Description

4-(1H-Imidazol-1-ylmethyl)aniline is a chemical compound with the molecular formula C10H12N2. It is a derivative of aniline in which a 1H-imidazol-1-ylmethyl group is attached to the fourth position of the benzene ring. 4-(1H-Imidazol-1-ylmethyl)aniline is used as a building block in the synthesis of pharmaceuticals and other organic compounds. It may also have potential applications in the field of medicinal chemistry as a precursor for the development of new drugs. Additionally, 4-(1H-Imidazol-1-ylmethyl)aniline may have potential use as an intermediate in the production of dyes, pigments, and other industrial chemicals. As with any chemical compound, proper handling and safety precautions should be observed when working with 4-(1H-Imidazol-1-ylmethyl)aniline.

InChI:InChI=1/C10H11N3/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7,11H2

Upstream product

• 1402073-38-4 4'-[(1-imidazolyl)methyl]acetanilide 
• 288-32-4 1H-imidazole 
• 83682-72-8 γ,γ-dichloropropanol 
• 100-11-8 1-bromomethyl-4-nitro-benzene 
• 2301-25-9 1-(4-nitrophenyl)-1H-imidazole 
• 18994-90-6 1-(4-nitrobenzyl)-1H-imidazole 

Downstream Products

• 120108-32-9 4-Fluoro-N-(4-imidazol-1-ylmethyl-phenyl)-benzamide 
• 102432-61-1 (4-Imidazol-1-ylmethyl-phenyl)-[1-(4-nitro-phenyl)-meth-(E)-ylidene]-amine 
• 102432-65-5 [1-(2,4-Dichloro-phenyl)-meth-(E)-ylidene]-(4-imidazol-1-ylmethyl-phenyl)-amine 
• 120108-30-7 4-Chloro-N-(4-imidazol-1-ylmethyl-phenyl)-benzamide 
• 120108-33-0 N-(4-Imidazol-1-ylmethyl-phenyl)-benzamide 
• 102432-62-2 (4-Imidazol-1-ylmethyl-phenyl)-[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amine 
• 102432-64-4 N-(4-{[(E)-4-Imidazol-1-ylmethyl-phenylimino]-methyl}-phenyl)-acetamide 
• 102432-66-6 (4-Imidazol-1-ylmethyl-phenyl)-[1-(3-nitro-phenyl)-meth-(E)-ylidene]-amine 
• 120108-28-3 2-Chloro-N-(4-imidazol-1-ylmethyl-phenyl)-benzamide 
• 120108-29-4 3-Chloro-N-(4-imidazol-1-ylmethyl-phenyl)-benzamide 
• 102432-67-7 [1-(4-Chloro-phenyl)-meth-(E)-ylidene]-(4-imidazol-1-ylmethyl-phenyl)-amine 
• 125665-47-6 N-(4-Imidazol-1-ylmethyl-phenyl)-phthalamic acid 
• 102432-63-3 C₁₉H₂₀N₄ 
• 120108-27-2 N-(4-Imidazol-1-ylmethyl-phenyl)-4-nitro-benzamide 

Relevant articles and documents

Novel imidazole derivatives as antifungal agents: Synthesis, biological evaluation, ADME prediction and molecular docking studies

A series of 2-(substituteddithiocarbamoyl)-N-[4-((1H-imidazol-1-yl)methyl)phenyl]acetamide derivatives was designed and synthesized to combat the increasing incidence of drug-resistant fungal infections. All synthesized compounds were characterized by IR, 1H-NMR, 13C-NMR, and HRMS spectra and elemental analyses. Antifungal activity tests were performed against four different fungal strains. Molecular docking studies were performed to investigate the mode of action towards the fungal lanosterol 14α-demethylase, a cytochrome P450-dependent enzyme. ADME studies were carried out and a connection between activities and physicochemical properties of the target compounds was determined. Most of the final compounds exhibited significant activity against Candida albicans and Candida krusei with MIC50 value 12.5 μg/mL. The results of in vitro anti-Candida activity, a docking study and ADME prediction revealed that the newly synthesized compounds have potential anti-Candida activity and evidenced the most active derivative, 5b (2-Pyrrolidinthiocarbonylthio-N-[4-((1H-imidazol-1-yl)methyl)phenyl]acetamide), which can be further optimized as a lead compound.

Microwave-assisted deacylation of unactivated amides using ammonium-salt-accelerated transamidation

Easy does it! The chemoselective oxidative ?-C(sp3)H alkylation/cyclization reaction of N-benzyl carbamates using simple mono-, di-, and trisubstituted olefins provides functionalized N-heterocycles such as oxazinones (see picture). A TEMPO oxoammonium salt serves as the oxidant, making it possible to carry out the reaction at low temperatures. Neither a metal catalyst nor preactivation in the ?-position to the nitrogen group are needed.

AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON

The invention relates to certain aminopyrimidine compounds which inhibit TBK1 and/or IKK epsilon and which may therefore find application in treating inflammation, cancer, septic shock and/or Primary open Angle Glaucoma (POAG).