Ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate

Base Information

• Chemical Name: Ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
• CAS No.: 73734-07-3
• Molecular Formula: C15H20 N4 O2
• Molecular Weight: 288.349
• European Community (EC) Number: 277-580-9
• DSSTox Substance ID: DTXSID20994619
• Nikkaji Number: J295.257B
• Wikidata: Q82985619
• Mol file: 73734-07-3.mol

Synonyms:73734-07-3;Ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate;EINECS 277-580-9;ethyl 4-(1H-benzimidazol-2-ylamino)-1-piperidinecarboxylate;(1H-benzimidazol-2-yl)-(1-ethoxycarbonyl-piperidin-4-yl)amine;SCHEMBL383139;DTXSID20994619;IMLIPHSGYFXWAA-UHFFFAOYSA-N;AKOS005067568;AM20041097;(1H-benzimidazol-2-yl)(1-(ethoxycarbonyl)piperidin-4-yl)amine;(1H-benzimidazol-2-yl)(1-ethoxycarbonyl piperidin-4-yl)amine;(1H-benzimidazol-2-yl)(1-ethoxycarbonyl-piperidin-4-yl)amine;(1H-benzimidazol-2-yl)(1-ethoxycarbonylpiperidin-4-yl)amine;ethyl 4-(1H-benzimidazol-2-yl-amino)-1-piperidinecarboxylate;ethyl 4-(1H-benzimidazol-2-ylamino)-1-piperidine-carboxylate;ethyl 4-[(1H-benzimidazol-2-yl)amino]-1-piperidinecarboxylate;Ethyl 4-((1H-benzo[d]imidazol-2-yl)amino)piperidine-1-carboxylate;4-(1H-benzoimidazol-2-ylamino)-piperidine-1-carboxylic acid ethyl ester;4-[(1H-Benzimidazol-2-yl)amino]-1-piperidinecarboxylic acid ethyl ester;Ethyl 4-[(1,3-dihydro-2H-benzimidazol-2-ylidene)amino]piperidine-1-carboxylate

Chemical Property of Ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 1.88E-09mmHg at 25°C
• Boiling Point: 482.1°C at 760 mmHg
• PKA: 11.42±0.10(Predicted)
• Flash Point: 245.4°C
• PSA: 73.48000
• Density: 1.297g/cm³
• LogP: 1.95550
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 288.15862589
• Heavy Atom Count: 21
• Complexity: 358

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCC(CC1)NC2=NC3=CC=CC=C3N2

Technology Process of Ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate

There total 11 articles about Ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate 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: 79.0%

2-chloro-1H-benzoimidazole (4857-06-1) + ethyl 4-aminopiperidine-1-carboxylate (58859-46-4) → (1H-benzimidazol-2-yl)-(1-ethoxycarbonyl-piperidin-4-yl)amine (73734-07-3)

Guidance literature:

With triethylamine; at 155 ℃; Sealed tube;

DOI:10.1021/acsmedchemlett.1c00328

Reference yield: 65.2%

ethyl 4-{[(2-aminophenyl)aminothioxomethyl]amino}-1-piperidinecarboxylate (73733-81-0) → (1H-benzimidazol-2-yl)-(1-ethoxycarbonyl-piperidin-4-yl)amine (73734-07-3)

Guidance literature:

With methyl iodide; In ethanol; at 70 ℃; for 2h;

DOI:10.1021/acs.jmedchem.0c02261

Reference yield:

C15H22N4O3 → (1H-benzimidazol-2-yl)-(1-ethoxycarbonyl-piperidin-4-yl)amine (73734-07-3)

Guidance literature:

With methyl iodide; In methanol;

upstream raw materials:

ethyl 4-{[(2-aminophenyl)aminothioxomethyl]amino}-1-piperidinecarboxylate

ethyl 4-aminopiperidine-1-carboxylate

2-chloro-1-(tetrahydropyran-2-yl)-1H-benzimidazole

2-chloro-1H-benzoimidazole

Downstream raw materials:

ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate

(1H-benzimidazol-2-yl)(piperidin-4-yl)amine

4-{4-(1H-benzimidazol-2-ylamino)piperidin-1-yl}benzoic acid

ethyl 4-{4-(1H-benzimidazol-2-ylamino)piperidin-1-yl}benzoate