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1-Acetylpiperazine

CAS# 13889-98-0

1-Acetylpiperazine

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1-Acetylpiperazine: 5mg $17 In Stock
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Chemical structure

1-Acetylpiperazine

3D structure

Chemical Properties of 1-Acetylpiperazine

Cas No. 13889-98-0 SDF Download SDF
PubChem ID 83795 Appearance Powder
Formula C6H12N2O M.Wt 128
Type of Compound N/A Storage Desiccate at -20°C
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Chemical Name 1-piperazin-1-ylethanone
SMILES CC(=O)N1CCNCC1
Standard InChIKey PKDPUENCROCRCH-UHFFFAOYSA-N
Standard InChI InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

1-Acetylpiperazine Dilution Calculator

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1-Acetylpiperazine Molarity Calculator

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Preparing Stock Solutions of 1-Acetylpiperazine

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 7.8125 mL 39.0625 mL 78.125 mL 156.25 mL 195.3125 mL
5 mM 1.5625 mL 7.8125 mL 15.625 mL 31.25 mL 39.0625 mL
10 mM 0.7813 mL 3.9063 mL 7.8125 mL 15.625 mL 19.5313 mL
50 mM 0.1563 mL 0.7813 mL 1.5625 mL 3.125 mL 3.9063 mL
100 mM 0.0781 mL 0.3906 mL 0.7813 mL 1.5625 mL 1.9531 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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References on 1-Acetylpiperazine

A joint theoretical and experimental study of 1-acetylpiperazine: conformational stability, infrared and Raman spectra.[Pubmed:24637275]

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jun 5;127:388-95.

Infrared and Raman spectra of 1-Acetylpiperazine (1-ap) have been recorded in the region of 4000-40cm(-1). The conformational isomers, optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of 1-ap (C6H12N2O) have been examined by density functional theory (DFT), with the Becke-3-Lee-Yang-Parr (B3LYP) functional and the 6-31++G(d,p) basis set. Reliable conformational investigation and vibrational assignments have been performed by the potential energy surface (PES) and potential energy distribution (PED) analyses, respectively. Computations are carried out in both gas phase and solution using benzene and methanol. There is a good agreement between the theoretically predicted structural parameters and vibrational frequencies and those obtained experimentally. The normal chair conformation with equatorial substituents is not preferred due to the steric interaction.

Process development and large-scale synthesis of NK1 antagonist.[Pubmed:18239303]

Chem Pharm Bull (Tokyo). 2008 Feb;56(2):176-80.

A scaleable synthetic route is described to obtain 2-(4-acetylpiperadin-1-yl)-6-[3,5-bis(trifluoromethyl)phenylmethyl]-4-(2-methylph enyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,5]oxazocin-5-one (1, KRP-103) as a neurokinin (NK)(1) antagonist. The key step in the synthesis is the intramolecular cyclization of N-[3,5-bis(trifluoromethyl)phenylmethyl]-N-(3-hydroxypropyl)-4-chloro-6-(2-methyl phenyl)-2-methylthiopyrimidine-5-carboxamide (15) which was obtained by amide formation between 4-(2-methylphenyl)-2-methylthio-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid (8) and 3-[3,5-bis(trifluoromethyl)phenylmethylamino]-1-propanol (3). Treatment of 15 with 1,8-diazabicyclo[5,4,0]undec-7-ene provided 6-[3,5-bis(trifluoromethyl)phenylmethyl]-4-(2-methylphenyl)-2-methylthio-6,7,8,9- tetrahydro-5H-pyrimido[4,5-b][1,5]oxazocin-5-one (6). This intermediate (6) is transformed into the candidate compound (1) by two steps; oxidation, and substitution reaction of the resultant sulfone (7) with 1-Acetylpiperazine. This synthetic method is free of chromatographic purification and is amenable to large scale synthesis.

Mouse hepatic metabolites of ketoconazole: isolation and structure elucidation.[Pubmed:7849138]

J Pharm Biomed Anal. 1994 Nov;12(11):1425-41.

Oxidation, cleavage and degradation of the imidazole and piperazine rings, O-dealkylation, and aromatic hydroxylation are the reported pathways of ketoconazole (KC) metabolism. Metabolites were examined in hepatic extracts from male Swiss Webster mice treated with KC (350 mg kg-1 po x 7 days) in a 0.25% gum tragacanth suspension at 10 ml kg-1. Livers were collected 24 h after the last dose and stored at -70 degrees C. A mixture of chloroform/methanol extracts of liver homogenates were dried under vacuum and methanol extracts of the residue were chromatographed by a series of preparative and analytical HPLC techniques. Structure assignments were made by NMR and MS/MS techniques. It was demonstrated that KC was biotransformed to a number of products. Nine were isolated and seven identified as exclusive products of the biotransformation of the 1-Acetylpiperazine moiety of KC. This substituent was biotransformed to the following: piperazine (de-N-acetyl ketoconazole, DAKC), N-carbamylpiperazine, N-formylpiperazine, 2,3-piperazinedione, 2-formamidoethylamine, ethylenediamine and amine. The 1H-NMR and MS data suggested that the remaining two metabolites were products resulting from the oxidation of the imidazole ring.

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