2-(Pyrrolidin-1-yl)-1H-benzo[d]imidazole

Base Information

• Chemical Name: 2-(Pyrrolidin-1-yl)-1H-benzo[d]imidazole
• CAS No.: 120161-06-0
• Molecular Formula: C₁₁H₁₃N₃
• Molecular Weight: 187.244
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00426286
• Nikkaji Number: J2.335.263J
• Wikidata: Q82239229
• ChEMBL ID: CHEMBL4440241
• Mol file: 120161-06-0.mol

Synonyms:120161-06-0;2-(Pyrrolidin-1-yl)-1H-benzo[d]imidazole;2-(1-pyrrolidinyl)-1H-benzimidazole;2-pyrrolidin-1-yl-1H-benzimidazole;CHEMBL4440241;1H-Benzimidazole,2-(1-pyrrolidinyl)-(9CI);2-pyrrolidinobenzimidazole;2-pyrrolidino-1h-benzimidazole;SCHEMBL2676103;2-pyrrolidino -1h-benzimidazole;2-Pyrrolizino-1H-benzoimidazole;DTXSID00426286;RXWCRIKVVODMRG-UHFFFAOYSA-N;VEA16106;BDBM50519468;MFCD08277409;STK211596;AKOS000283141;1h-benzimidazole,2-(1-pyrrolidinyl)-;2-(pyrrolidin-1-yl)-1H-benzimidazole;BS-37067;2-(pyrrolidin-1-yl)-1H-1,3-benzodiazole;CS-0321213

Chemical Property of 2-(Pyrrolidin-1-yl)-1H-benzo[d]imidazole

Chemical Property:

• Vapor Pressure: 9.98E-06mmHg at 25°C
• Refractive Index: 1.684
• Boiling Point: 371.9°C at 760 mmHg
• Flash Point: 178.7°C
• PSA: 31.92000
• Density: 1.251g/cm³
• LogP: 2.22810
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.110947427
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

2-(1-Pyrrolidinyl)-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=NC3=CC=CC=C3N2

Technology Process of 2-(Pyrrolidin-1-yl)-1H-benzo[d]imidazole

There total 9 articles about 2-(Pyrrolidin-1-yl)-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: 91.0%

2-(4-chlorobutylamino)benzimidazole (1112311-84-8) → 2-(pyrrolidin-1-yl)-1H-benzimidazole (120161-06-0)

Guidance literature:

With sodium hydroxide; for 2h; Heating;

DOI:10.1007/s11172-007-0366-8

Reference yield: 68.0%

pyrrolidine (123-75-1) + 1H-benzimidazole-2-sulfonic acid (40828-54-4) → 2-(pyrrolidin-1-yl)-1H-benzimidazole (120161-06-0)

Guidance literature:

at 140 - 150 ℃; for 1.5h;

DOI:10.1007/s11172-007-0366-8

Reference yield: 47.0%

1-pyrrolidinecarboximidamide (13932-58-6) + 1,2-Diiodobenzene (615-42-9) → 2-(pyrrolidin-1-yl)-1H-benzimidazole (120161-06-0)

Guidance literature:

With copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine; In N,N-dimethyl acetamide; at 150 ℃; for 16h; Inert atmosphere;

DOI:10.1021/jo900912h

upstream raw materials:

1,2-diamino-benzene

N,N-dimethylpyrrolidine-1-carboxamide

pyrrolidine

2-chloro-1H-benzoimidazole

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