2-isopropyl-1H-benzo[d]imidazole

Base Information

• Chemical Name: 2-isopropyl-1H-benzo[d]imidazole
• CAS No.: 5851-43-4
• Molecular Formula: C10H12 N2
• Molecular Weight: 160.219
• Hs Code.: 2933990090
• European Community (EC) Number: 676-582-0
• DSSTox Substance ID: DTXSID50207229
• Nikkaji Number: J69.220D
• Wikidata: Q72485777
• ChEMBL ID: CHEMBL368344
• Mol file: 5851-43-4.mol

Synonyms:5851-43-4;2-isopropyl-1H-benzo[d]imidazole;2-ISOPROPYLBENZIMIDAZOLE;2-Isopropyl-1H-benzimidazole;1H-Benzimidazole, 2-(1-methylethyl)-;2-propan-2-yl-1H-benzimidazole;Benzimidazole, 2-isopropyl-;2-(propan-2-yl)-1H-1,3-benzodiazole;BRN 0003535;CHEMBL368344;MFCD00051759;5-23-06-00501 (Beilstein Handbook Reference);Maybridge1_003611;SCHEMBL85832;2-Isopropyl-1H-benzoimidazole;F0853-0050;2-Isopropyl-1H-benzimidazole #;HMS551M03;DTXSID50207229;CHEBI:194842;2-(propan-2-yl)-1H-benzimidazole;BDBM50404927;STK866208;AKOS000275098;PS-4863;2-Isopropyl-1H-benzimidazole, AldrichCPR;DP 01004;LS-33002;AM20040784;BB 0218043;CS-0117015;FT-0612717;EN300-16228;A15669;F13441;Z50129788

Chemical Property of 2-isopropyl-1H-benzo[d]imidazole

Chemical Property:

• Vapor Pressure: 0.000289mmHg at 25°C
• Melting Point: 237-238°C
• Boiling Point: 332.1°Cat760mmHg
• Flash Point: 165.7°C
• PSA: 28.68000
• Density: 1.103g/cm³
• LogP: 2.68630
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.100048391
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99%, ^*data from raw suppliers

2-Isopropyl-1H-Benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC2=CC=CC=C2N1

Technology Process of 2-isopropyl-1H-benzo[d]imidazole

There total 2 articles about 2-isopropyl-1H-benzo[d]imidazole 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: 76.0%

anthranilic acid amide (28144-70-9,88-68-6) + isobutyraldehyde (78-84-2) → 2-isopropylbenzimidazole (5851-43-4)

Guidance literature:

With tert.-butylhydroperoxide; iodine; In water; acetonitrile; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2018.05.028

Reference yield: 66.0%

1,2-Diiodobenzene (615-42-9) + isobutyramidine (57536-10-4) → N-phenylisobutyramidine (25844-23-9) + 2-isopropylbenzimidazole (5851-43-4)

Guidance literature:

With copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine; In 1-methyl-pyrrolidin-2-one; at 170 ℃; Inert atmosphere;

DOI:10.1021/jo900912h

Reference yield: 81.0%

4-Cyanophenacyl bromide (20099-89-2) + 2-isopropylbenzimidazole (5851-43-4) → 4‐(2‐(2‐isopropyl‐1H‐benzo[d]imidazol‐1‐yl)acetyl)benzonitrile

Guidance literature:

2-isopropylbenzimidazole; With potassium carbonate; In acetone; at 20 ℃; for 0.5h;

4-Cyanophenacyl bromide; In acetone; for 8h; Reflux;

DOI:10.3390/molecules25040770

upstream raw materials:

1,2-Diiodobenzene

isobutyramidine

anthranilic acid amide

isobutyraldehyde

Downstream raw materials:

3-(2-isopropyl-benzimidazol-1-yl)-propionic acid amide

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