1-(2,2-Dimethylpropyl)piperazine

Base Information

• Chemical Name: 1-(2,2-Dimethylpropyl)piperazine
• CAS No.: 57184-50-6
• Molecular Formula: C9H20N2
• Molecular Weight: 156.271
• Hs Code.: 2933599090
• European Community (EC) Number: 836-807-7
• DSSTox Substance ID: DTXSID80587804
• Wikidata: Q72494013

Synonyms:57184-50-6;1-(2,2-Dimethylpropyl)piperazine;1-Neopentylpiperazine;1-(2,2-dimethyl-propyl)-piperazine;PIPERAZINE, 1-(2,2-DIMETHYLPROPYL)- (9CI);MFCD09894968;SCHEMBL1104721;DTXSID80587804;QRHQUUUKPRHWRO-UHFFFAOYSA-N;AKOS010412488;MCULE-4780285547;Piperazine, 1-(2,2-dimethylpropyl)-;NS-01218;DB-327203;CS-0106267;D76624;EN300-865864

Chemical Property of 1-(2,2-Dimethylpropyl)piperazine

Chemical Property:

• Vapor Pressure: 0.313mmHg at 25°C
• Refractive Index: 1.449
• Boiling Point: 201.1°C at 760 mmHg
• Flash Point: 60.4°C
• PSA: 15.27000
• Density: 0.864g/cm³
• LogP: 1.20440
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.162648646
• Heavy Atom Count: 11
• Complexity: 109

Purity/Quality:

98%Min ^*data from raw suppliers

1-(2,2-Dimethylpropyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CN1CCNCC1

Technology Process of 1-(2,2-Dimethylpropyl)piperazine

There total 2 articles about 1-(2,2-Dimethylpropyl)piperazine 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: 60.0%

tert-butyl 4-neopentylpiperazine-1-carboxylate → 1-(2,2-dimethyl-propyl)-piperazine (57184-50-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1021/jm070191h

Reference yield:

pivalaldehyde (630-19-3) → 1-(2,2-dimethyl-propyl)-piperazine (57184-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: AcOH / 1,2-dichloro-ethane / 0.33 h / 50 °C

1.2: 100 percent / NaBH(OAc)3 / 1,2-dichloro-ethane / 1.5 h / 50 °C

2.1: 60 percent / TFA / CH₂Cl₂ / 18 h / 20 °C

With acetic acid; trifluoroacetic acid; In dichloromethane; 1,2-dichloro-ethane;

DOI:10.1021/jm070191h

Reference yield: 56.0%

1-(2,2-dimethyl-propyl)-piperazine (57184-50-6) + 4-chloro-5-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrimidine → 5-(3-methoxyphenyl)-4-(4-neopentylpiperazin-1-yl)-2-(pyridin-4-yl)pyrimidine

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; Reflux;

upstream raw materials:

pivalaldehyde

Downstream raw materials:

11-{[4-(2,2-dimethyl-propyl)-piperazin-1-yl]-acetyl}-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one

C₂₆H₃₂ClN₅O₂

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