1-Methyl-1H-benzimidazole-5-carboxaldehyde

Base Information

• Chemical Name: 1-Methyl-1H-benzimidazole-5-carboxaldehyde
• CAS No.: 279226-70-9
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.175
• Hs Code.: 2934999090
• European Community (EC) Number: 827-806-2
• DSSTox Substance ID: DTXSID20591546
• Wikidata: Q82485333
• Mol file: 279226-70-9.mol

Synonyms:1-Methyl-1H-benzimidazole-5-carboxaldehyde;279226-70-9;1-methylbenzimidazole-5-carbaldehyde;1-methyl-1H-benzo[d]imidazole-5-carbaldehyde;1H-Benzimidazole-5-carboxaldehyde,1-methyl-;1-methyl-1H-1,3-benzodiazole-5-carbaldehyde;1H-Benzimidazole-5-carboxaldehyde, 1-methyl-;1-Methylbenzimidazole-5-carboxaldehyde;1-methyl-1h-benzimidazole-5-carbaldehyde;SCHEMBL541566;DTXSID20591546;PZIDCZRIHGNHPD-UHFFFAOYSA-N;MFCD09261052;AKOS006238115;AS-33245;CS-0209771;EN300-65721;A819247;J-504850;Z1021421728

Chemical Property of 1-Methyl-1H-benzimidazole-5-carboxaldehyde

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Refractive Index: 1.622
• Boiling Point: 336.9 °C at 760 mmHg
• Flash Point: 157.5 °C
• PSA: 34.89000
• Density: 1.21 g/cm³
• LogP: 1.38580
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-1h-benzimidazole-5-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C=CC(=C2)C=O

Technology Process of 1-Methyl-1H-benzimidazole-5-carboxaldehyde

There total 4 articles about 1-Methyl-1H-benzimidazole-5-carboxaldehyde 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:

1H-benzo[d]imidazole-5-carbaldehyde (58442-17-4) + methyl iodide (74-88-4) → 1-methyl-1H-benzo[d]imidazole-6-carbaldehyde (181867-19-6) + 1-methyl-1H-benzo[d]imidazole-5-carbaldehyde (279226-70-9)

Guidance literature:

1H-benzo[d]imidazole-5-carbaldehyde; With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide; In dichloromethane; water; for 1h;

methyl iodide; In dichloromethane; water; for 72h; Overall yield = 44 %; Overall yield = 600 mg;

DOI:10.1016/j.ejmech.2018.08.078

Reference yield:

5-benzimidazolecarboxylic acid (15788-16-6) → 1-methyl-1H-benzo[d]imidazole-6-carbaldehyde (181867-19-6) + 1-methyl-1H-benzo[d]imidazole-5-carbaldehyde (279226-70-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran / 48 h / 65 °C / Inert atmosphere

2.1: manganese(IV) oxide / methanol / 48 h / 20 °C

3.1: sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate / dichloromethane; water / 1 h

3.2: 72 h

With manganese(IV) oxide; lithium aluminium tetrahydride; tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water;

DOI:10.1016/j.ejmech.2018.08.078

Reference yield:

5-(hydroxymethyl)-benzimidazole (106429-29-2) → 1-methyl-1H-benzo[d]imidazole-6-carbaldehyde (181867-19-6) + 1-methyl-1H-benzo[d]imidazole-5-carbaldehyde (279226-70-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: manganese(IV) oxide / methanol / 48 h / 20 °C

2.1: sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate / dichloromethane; water / 1 h

2.2: 72 h

With manganese(IV) oxide; tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide; In methanol; dichloromethane; water;

DOI:10.1016/j.ejmech.2018.08.078

upstream raw materials:

(1-methyl-1H-benzimidazol-5-yl)methanol

1H-benzo[d]imidazole-5-carbaldehyde

methyl iodide

5-benzimidazolecarboxylic acid

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