tert-butyl 4-(1H-benzimidazol-2-yl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-butyl 4-(1H-benzimidazol-2-yl)piperazine-1-carboxylate
• CAS No.: 295341-56-9
• Molecular Formula: C₁₆H₂₂N₄O₂
• Molecular Weight: 302.376
• DSSTox Substance ID: DTXSID70591319
• Wikidata: Q82485072
• Mol file: 295341-56-9.mol

Synonyms:295341-56-9;tert-butyl 4-(1H-benzimidazol-2-yl)piperazine-1-carboxylate;tert-Butyl 4-(1H-benzo[d]imidazol-2-yl)piperazine-1-carboxylate;1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester;4-(1H-Benzoimidazol-2-yl)-piperazine-1-carboxylic acid tert-butyl ester;SCHEMBL20767890;DTXSID70591319;4-(1h-benzo[d]imidazol-2-yl)piperazine-1-carboxylic acid tert-butyl ester;AKOS015962503;AC-17170;F2199-0264;Ethyl2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

Chemical Property of tert-butyl 4-(1H-benzimidazol-2-yl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 4.22E-09mmHg at 25°C
• Refractive Index: 1.61
• Boiling Point: 472.6°C at 760 mmHg
• Flash Point: 239.6°C
• PSA: 61.46000
• Density: 1.231g/cm³
• LogP: 2.62290
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 302.17427596
• Heavy Atom Count: 22
• Complexity: 401

Purity/Quality:

4-(1H-BENZOIMIDAZOL-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N2

Technology Process of tert-butyl 4-(1H-benzimidazol-2-yl)piperazine-1-carboxylate

There total 3 articles about tert-butyl 4-(1H-benzimidazol-2-yl)piperazine-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:

1,2-diamino-benzene (95-54-5) → tert-butyl 4-(1H-benzimidazol-2-yl)piperazine-1-carboxylate (295341-56-9)

Guidance literature:

Multi-step reaction with 3 steps

1: ethylene glycol / 8 h / 140 - 170 °C

2: trichlorophosphate / 2 h / Reflux

3: toluene / 6 h / 150 °C / Microwave irradiation

With trichlorophosphate; In ethylene glycol; toluene;

DOI:10.1021/acsinfecdis.6b00202

Reference yield:

1,3-dihydro-2H-benzimidazol-2-one (615-16-7) → tert-butyl 4-(1H-benzimidazol-2-yl)piperazine-1-carboxylate (295341-56-9)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / 2 h / Reflux

2: toluene / 6 h / 150 °C / Microwave irradiation

With trichlorophosphate; In toluene;

DOI:10.1021/acsinfecdis.6b00202

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) + 2-bromo-1H-1,3-benzodiazole (54624-57-6) → tert-butyl 4-(1H-benzimidazol-2-yl)piperazine-1-carboxylate (295341-56-9)

Guidance literature:

With bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate; DavePhos;

DOI:10.1016/j.bmcl.2008.06.057

upstream raw materials:

1-t-Butoxycarbonylpiperazine

2-bromo-1H-1,3-benzodiazole

1,2-diamino-benzene

1,3-dihydro-2H-benzimidazol-2-one

Downstream raw materials:

2-piperazin-1-yl-1H-benzoimidazole

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