(4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone

Base Information

• Chemical Name: (4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone
• CAS No.: 110698-60-7
• Molecular Formula: C11H11 N3 O
• Molecular Weight: 201.228
• Hs Code.: 2933290090
• ChEMBL ID: CHEMBL1702643
• DSSTox Substance ID: DTXSID30406955
• Mol file: 110698-60-7.mol

Synonyms:110698-60-7;(4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone;(4-aminophenyl)-(1-methylimidazol-2-yl)methanone;4-(1-methyl-1H-imidazole-2-carbonyl)aniline;(4-Aminophenyl)(1-methyl-1H-imidazol-2-yl)-methanone;4-Fuorobiphenyl-2-ylamine;MLS001176367;CHEMBL1702643;DTXSID30406955;Methanone, (4-aminophenyl)(1-methyl-1H-imidazol-2-yl)-;SFKMWUTWFHTKRN-UHFFFAOYSA-N;HMS2897H08;MFCD06655318;AKOS000122855;LS-03513;SMR000596430;FT-0684347;EN300-12375;F2124-0448;Z119989774

Chemical Property of (4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone

Chemical Property:

• Vapor Pressure: 4.17E-08mmHg at 25°C
• Boiling Point: 444.8°Cat760mmHg
• Flash Point: 222.8°C
• PSA: 60.91000
• Density: 1.24g/cm³
• LogP: 1.81450
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.090211983
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

98%min ^*data from raw suppliers

(4-Aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CN=C1C(=O)C2=CC=C(C=C2)N

Technology Process of (4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone

There total 1 articles about (4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

(1-methyl-1H-imidazol-2-yl)(4-nitrophenyl)methanone (30148-20-0) → (4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone (110698-60-7)

Guidance literature:

With tin(ll) chloride; In ethanol; at 70 ℃; for 1h;

DOI:10.1021/jm00395a021

Reference yield: 64.0%

methanesulfonyl chloride (124-63-0) + (4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone (110698-60-7) → N-<4-<(1-methyl-1H-imidazol-2-yl)carbonyl>phenyl>methanesulfonamide (110698-68-5)

Guidance literature:

With pyridine; In dichloromethane; 1.) 0 deg C, 1 h, 2.) RT, 18 h;

DOI:10.1021/jm00395a021

Reference yield:

(4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone (110698-60-7) → N-<4-phenyl>methanesulfonamide (110698-69-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / pyridine / CH₂Cl₂ / 1.) 0 deg C, 1 h, 2.) RT, 18 h

2: 94 percent / H₂ / 10percent Pd/C / methanol / 13.5 h / 2585.7 Torr / Ambient temperature

With pyridine; hydrogen; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/jm00395a021

upstream raw materials:

(1-methyl-1H-imidazol-2-yl)(4-nitrophenyl)methanone

Downstream raw materials:

N-<4-<(1-methyl-1H-imidazol-2-yl)carbonyl>phenyl>methanesulfonamide

N-<4-phenyl>methanesulfonamide

1,3-dimethyl-2-(hydroxy{4-[(methylsulfonyl)amino]phenyl}methyl)-1H-imidazolium iodide 0.5-hydrate