Cyclobutyl(piperazin-1-yl)methanone

Base Information

• Chemical Name: Cyclobutyl(piperazin-1-yl)methanone
• CAS No.: 64579-67-5
• Molecular Formula: C9H16N2O
• Molecular Weight: 168.23600
• Hs Code.: 2933599090
• European Community (EC) Number: 852-191-2
• DSSTox Substance ID: DTXSID30588341
• Wikidata: Q82480959
• Mol file: 64579-67-5.mol

Synonyms:64579-67-5;Cyclobutyl(piperazin-1-yl)methanone;1-(CYCLOBUTYLCARBONYL)PIPERAZINE;1-cyclobutanecarbonylpiperazine;MFCD09050106;SCHEMBL911817;N-(Cyclobutylcarbonyl)piperazine;DTXSID30588341;FKHMNODTEFBVPC-UHFFFAOYSA-N;STL445629;AKOS000133572;MCULE-2829167797;AS-48439;DA-34951;CS-0257931;EN300-68561;F31000;A1-01207;Z239093008

Chemical Property of Cyclobutyl(piperazin-1-yl)methanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 320.169oC at 760 mmHg
• Flash Point: 147.433oC
• PSA: 32.34000
• Density: 1.108g/cm3
• LogP: 0.48500
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.126263138
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

Cyclobutyl(piperazin-1-yl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)C(=O)N2CCNCC2

Technology Process of Cyclobutyl(piperazin-1-yl)methanone

There total 2 articles about Cyclobutyl(piperazin-1-yl)methanone 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:

tert-butyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate → N-(Cyclobutylcarbonyl)piperazine (64579-67-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 3h; Time; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c00735

Reference yield:

Cyclobutanecarbonyl chloride (5006-22-4) → N-(Cyclobutylcarbonyl)piperazine (64579-67-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/acs.jmedchem.1c00735

Reference yield:

N-(Cyclobutylcarbonyl)piperazine (64579-67-5) → C26H28ClN5O3 (1374567-16-4)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / methanol / 60 h / Reflux

2: palladium 10% on activated carbon; hydrogen / ethanol / 2 h

3: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 6 h / 20 °C

With palladium 10% on activated carbon; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In methanol; ethanol; dichloromethane;

DOI:10.1016/j.bmcl.2012.03.050

upstream raw materials:

Cyclobutanecarbonyl chloride

Downstream raw materials:

C₂₆H₂₈ClN₅O₃

C₂₇H₂₈F₃N₅O₄

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