4-(4-Methyl-1H-imidazol-1-yl)benzaldehyde

Base Information

• Chemical Name: 4-(4-Methyl-1H-imidazol-1-yl)benzaldehyde
• CAS No.: 127404-21-1
• Molecular Formula: C11H10N2O
• Molecular Weight: 186.213
• European Community (EC) Number: 816-823-0
• Mol file: 127404-21-1.mol

Synonyms:127404-21-1;4-(4-Methyl-1H-imidazol-1-yl)benzaldehyde;Benzaldehyde, 4-(4-methyl-1H-imidazol-1-yl)-;4-(4-METHYLIMIDAZOL-1-YL)BENZALDEHYDE;Benzaldehyde,4-(4-methyl-1H-imidazol-1-yl)-;SCHEMBL8037303;PVVBFOHONHPONZ-UHFFFAOYSA-N;CFA40421;PD193589;4-(4-Methyl-1-imidazol-1-yl)-benzaldehyde;CS-0000396;EN300-1272433

Chemical Property of 4-(4-Methyl-1H-imidazol-1-yl)benzaldehyde

Chemical Property:

• Vapor Pressure: 1.67E-05mmHg at 25°C
• Boiling Point: 364.6oC at 760 mmHg
• Flash Point: 174.3oC
• PSA: 34.89000
• Density: 1.13g/cm3
• LogP: 1.99320
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Methyl-1H-imidazol-1-yl)benzaldehyde 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C=N1)C2=CC=C(C=C2)C=O

Technology Process of 4-(4-Methyl-1H-imidazol-1-yl)benzaldehyde

There total 3 articles about 4-(4-Methyl-1H-imidazol-1-yl)benzaldehyde 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: 11.0%

4-methyl-1H-imidazole (822-36-6) + 4-fluorobenzaldehyde (459-57-4) → 4-(4-methyl-1H-imidazole-1-yl)benzaldehyde (127404-21-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 19h; Inert atmosphere;

DOI:10.1021/jm5006429

Reference yield:

4-methyl-1H-imidazole (822-36-6) + 4-fluorobenzaldehyde (459-57-4) → 4-(5-methyl-1H-imidazol-1-yl)benzaldehyde + 4-(4-methyl-1H-imidazole-1-yl)benzaldehyde (127404-21-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃;

Reference yield:

4-methyl-1H-imidazole (822-36-6) + 4-fluorobenzaldehyde (459-57-4) → 4-(3-methyl-1H-imidazol-1-yl)benzaldehyde + 4-(4-methyl-1H-imidazole-1-yl)benzaldehyde (127404-21-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 0.25h; Microwave irradiation;

upstream raw materials:

4-methyl-1H-imidazole

4-fluorobenzaldehyde

Downstream raw materials:

N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-(4-(4-(4-methyl-1H-imidazole-1-yl)phenyl)-1H-1,2,3-triazol-1-yl)acetamide

1-(4-ethynylphenyl)-4-methyl-1H-imidazole

C₂₇H₂₇ClFN₃O₃S

C₂₅H₂₆F₃N₃O₄