1-(2,2-Dimethylpropanoyl)piperazine

Base Information

• Chemical Name: 1-(2,2-Dimethylpropanoyl)piperazine
• CAS No.: 155295-47-9
• Molecular Formula: C9H18N2O
• Molecular Weight: 170.255
• Hs Code.: 2933599090
• European Community (EC) Number: 640-923-1
• DSSTox Substance ID: DTXSID90375754
• Nikkaji Number: J2.027.961C
• Wikidata: Q82164413
• Mol file: 155295-47-9.mol

Synonyms:155295-47-9;1-(2,2-dimethylpropanoyl)piperazine;2,2-Dimethyl-1-(piperazin-1-yl)propan-1-one;1-Pivaloyl-piperazine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;MFCD04973343;1-Pivaloylpiperazine;1-tert-butylcarbonylpiperazine;2,2-dimethyl-1-piperazin-1-yl-propan-1-one;1-Propanone, 2,2-dimethyl-1-(1-piperazinyl)-;tert-Butylpiperazino ketone;SCHEMBL10683;n-tert-butylcarbonyl-piperazine;DTXSID90375754;FPXOBQQMHSMJMN-UHFFFAOYSA-N;1-Pivaloyl-piperazine, AldrichCPR;AKOS000133139;PS-3216;FT-0764416;EN300-31794;F2197-5144;Z228586796

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

Chemical Property:

• Vapor Pressure: 0.00281mmHg at 25°C
• Refractive Index: 1.467
• Boiling Point: 285.4 °C at 760 mmHg
• PKA: 8.58±0.10(Predicted)
• Flash Point: 126.4 °C
• PSA: 32.34000
• Density: 0.976 g/cm³
• LogP: 0.73100
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.141913202
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

2,2-Dimethyl-1-piperazin-1-yl-propan-1-oneOxalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-51
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)N1CCNCC1

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

There total 4 articles about 1-(2,2-Dimethylpropanoyl)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: 45.0%

piperazine (110-85-0) + pivaloyl chloride (3282-30-2) → 2,2-dimethyl-1-(piperazin-1-yl)propan-1-one (155295-47-9)

Guidance literature:

piperazine; Merrifield resin 3-diazophenylether tetrafluoroborate;

pivaloyl chloride;

In methanol; diethyl ether; for 0.5h; Further stages.; laser irradiation;

DOI:10.1016/j.tetlet.2004.02.002

Reference yield:

tert-butyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate → 2,2-dimethyl-1-(piperazin-1-yl)propan-1-one (155295-47-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

DOI:10.1016/S0960-894X(02)00688-1

Reference yield:

pivaloyl chloride (3282-30-2) → 2,2-dimethyl-1-(piperazin-1-yl)propan-1-one (155295-47-9)

Guidance literature:

Multi-step reaction with 2 steps

1: iPr₂NEt; DMAP / CH₂Cl₂

2: TFA / CH₂Cl₂

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

DOI:10.1016/S0960-894X(02)00688-1

upstream raw materials:

piperazine

pivaloyl chloride

Downstream raw materials:

C₂₂H₂₅F₄N₃O

C₄₁H₄₈N₆O₉

methyl cis-7-benzyloxy-3-hydroxy-4-(3-piperazinylpropyl)-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylate

Refernces

• 1、 Sutton, James C.,Bolton, Scott A.,Hartl, Karen S.,Huang, Ming-Hsing,Jacobs, Glenn,Meng, Wei,Ogletree, Martin L.,Pi, Zulan,Schumacher, William A.,Seiler, Steven M.,Slusarchyk, William A.,Treuner, Uwe,Zahler, Robert,Zhao, Guohua,Bisacchi, Gregory S.. "Synthesis and SAR of 4-carboxy-2-azetidinone mechanism-based tryptase inhibitors". . p. 3229 - 3233. Retrieved 2007/10/03.