4-(1H-Imidazol-1-ylmethyl)benzaldehyde

Base Information

• Chemical Name: 4-(1H-Imidazol-1-ylmethyl)benzaldehyde
• CAS No.: 102432-03-1
• Molecular Formula: C11H10 N2 O
• Molecular Weight: 186.21
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID30456152
• Wikidata: Q82278378
• Mol file: 102432-03-1.mol

Synonyms:4-(1H-Imidazol-1-ylmethyl)benzaldehyde;102432-03-1;4-(imidazol-1-ylmethyl)benzaldehyde;4-((1h-imidazol-1-yl)methyl)benzaldehyde;MFCD08271920;4-[(1H-Imidazol-1-yl)methyl]benzaldehyde;Benzaldehyde, 4-(1H-imidazol-1-ylmethyl)-;SCHEMBL210793;DTXSID30456152;PYVCQHSLEIAQET-UHFFFAOYSA-N;1-(4-Formylbenzyl)-1H-imidazole;CEA43203;BBL103596;STL557406;AKOS006343965;PS-6168;1-[(4-Formylphenyl)methyl]-1H-imidazole;FT-0642485;W-204457

Chemical Property of 4-(1H-Imidazol-1-ylmethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 392.6°Cat760mmHg
• Flash Point: 191.2°C
• PSA: 34.89000
• Density: 1.12g/cm³
• LogP: 1.74390
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

4-(1H-Imidazol-1-ylmethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN2C=CN=C2)C=O

Technology Process of 4-(1H-Imidazol-1-ylmethyl)benzaldehyde

There total 6 articles about 4-(1H-Imidazol-1-ylmethyl)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: 92.0%

1H-imidazole (288-32-4) + 4-(bromomethyl)benzaldehyde (51359-78-5) → 4-((1H-imidazol-1-yl)methyl)benzaldehyde (102432-03-1)

Guidance literature:

With potassium carbonate; In chloroform; at 20 ℃; for 2h;

DOI:10.1080/00304941003699723

Reference yield:

4-((1H-imidazol-1-yl)methyl)phenylmethanol (103573-92-8) → 4-((1H-imidazol-1-yl)methyl)benzaldehyde (102432-03-1)

Guidance literature:

With manganese(IV) oxide; In chloroform; at 20 ℃; for 16h; Reflux;

Reference yield:

ethyl 4-chloromethylbenzoate (1201-90-7) → 4-((1H-imidazol-1-yl)methyl)benzaldehyde (102432-03-1)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 20 - 115 °C / Inert atmosphere

2: lithium aluminium tetrahydride / tetrahydrofuran / 13 h / -60 - 20 °C / Inert atmosphere

3: manganese(IV) oxide / chloroform / 16 h / 20 °C / Reflux

With manganese(IV) oxide; lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; chloroform; N,N-dimethyl-formamide;

upstream raw materials:

1H-imidazole

4-(bromomethyl)benzaldehyde

4-((1H-imidazol-1-yl)methyl)phenylmethanol

ethyl 4-chloromethylbenzoate

Downstream raw materials:

1,6-bis(4-imidazol-1'-ylmethylphenyl)-2,5-diazahexane

4-(1-imidazolylmethyl)cinnamic acid hydrochloride