1H-Benzimidazole-5-carbaldehyde

Base Information

• Chemical Name: 1H-Benzimidazole-5-carbaldehyde
• CAS No.: 58442-17-4
• Molecular Formula: C8H6 N2 O
• Molecular Weight: 146.148
• Hs Code.: 2933990090
• European Community (EC) Number: 817-456-9
• DSSTox Substance ID: DTXSID00434048
• Nikkaji Number: J694.197D
• Wikidata: Q72445213
• Mol file: 58442-17-4.mol

Synonyms:1H-Benzimidazole-5-carbaldehyde;58442-17-4;1H-Benzimidazole-5-carboxaldehyde;3H-benzimidazole-5-carbaldehyde;1H-benzo[d]imidazole-5-carbaldehyde;benzimidazole-5-aldehyde;1H-1,3-benzodiazole-5-carbaldehyde;1h-benzo[d]imidazole-6-carbaldehyde;MFCD08741423;5-Formyl-1H-benzimidazole;3H-benzoimidazole-5-carbaldehyde;Benzimidazol-5-carbaldehyde;SCHEMBL1160196;DTXSID00434048;ALCHVVTYAHQOFY-UHFFFAOYSA-N;1H-benzoimidazole-5-carboxaldehyde;BENZIMIDAZOLE-5-CARBOXALDEHYDE;AKOS005259803;AKOS015854548;AB48780;PS-4120;1H-BENZOIMIDAZOLE-5-CARBALDEHYDE;AM804086;SY002474;A8272;FT-0652676;1H-BENZO[D]IMIDAZOLE-5-CARBOXALDEHYDE;EN300-65720;1H-BENZIMIDAZOLE-5-CARBOXALDEHYDE 97+%;W-203190;Z1021421726

Chemical Property of 1H-Benzimidazole-5-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 158.5-161
• Boiling Point: 448°Cat760mmHg
• PKA: 11.69±0.10(Predicted)
• Flash Point: 224.7°C
• PSA: 45.75000
• Density: 1.368g/cm³
• LogP: 1.37540
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.048012819
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

1H-Benzimidazole-5-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C=O)NC=N2

Technology Process of 1H-Benzimidazole-5-carbaldehyde

There total 2 articles about 1H-Benzimidazole-5-carbaldehyde 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:

dichloromethane (75-09-2) + 4-methylmorpholine N-oxide (7529-22-8) + 5-benzimidazolecarboxylic acid (15788-16-6) → 4-Bromo-2-nitroaniline (875-51-4) + 1H-benzo[d]imidazole-5-carbaldehyde (58442-17-4)

Guidance literature:

With LiAlH₄; tetrapropylammonium perruthennate; silica gel; In tetrahydrofuran; N,N-dimethyl-formamide;

Reference yield:

? molecular sieves + dichloromethane (75-09-2) + 4-methylmorpholine N-oxide (7529-22-8) + 5-benzimidazolecarboxylic acid (15788-16-6) → 4-Bromo-2-nitroaniline (875-51-4) + 1H-benzo[d]imidazole-5-carbaldehyde (58442-17-4)

Guidance literature:

With LiAlH₄; tetrapropylammonium perruthennate; In tetrahydrofuran; N,N-dimethyl-formamide;

Reference yield: 96.5%

1H-benzo[d]imidazole-5-carbaldehyde (58442-17-4) → 1H-benzo[d]imidazole-5-formaldehyde oxime (865878-73-5)

Guidance literature:

With hydroxylamine; sodium acetate; In methanol; at 20 ℃; for 1h;

upstream raw materials:

dichloromethane

4-methylmorpholine N-oxide

5-benzimidazolecarboxylic acid

Downstream raw materials:

1H-benzo[d]imidazole-5-formaldehyde oxime

(Z)-5-[2-(3,5-dimethoxyphenyl)-ethenyl]-1H-benzoimidazole

N-benzyl-1H-benzo[d]imidazol-5-amine

N-((1H-Benzo[d]imidazol-5-yl)methyl)benzenamine

Refernces

• 1、 -. "Trisbenzimidazoles useful as topoisomerase I inhibitors". . . Retrieved 2008/06/13.