13889-98-0

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13889-98-0 Structure

Identification	More
[Name] 1-Acetylpiperazine
[CAS] 13889-98-0
[Synonyms] 1-ACETYLPIPERAZINE 1-PIPERAZIN-1-YL-ETHANONE AKOS BB-5737 N-ACETYLPIPERAZINE acetylpiperazine N-Acetylpiperazine97% N-Acetylpiperazine,99% n-acetyl ptperazine N-aetylpiperazine N-ACETY PIPERAZINE 1-Piperazinoethanone
[EINECS(EC#)] 237-659-0
[Molecular Formula] C6H12N2O
[MDL Number] MFCD00058676
[Molecular Weight] 128.17
[MOL File] 13889-98-0.mol

Chemical Properties	Back Directory
[Appearance] clear light yellow liquid after melting
[Melting point ] 31-34 °C (lit.)
[Boiling point ] 127 °C
[density ] 1.0754 (rough estimate)
[refractive index ] 1.4880 (estimate)
[Fp ] >230 °F
[storage temp. ] 2-8°C
[solubility ] methanol: soluble1g/10 mL, clear, colorless to faintly greenish-yellow
[form ] Liquid After Melting
[pka] 8.50±0.10(Predicted)
[color ] Clear light yellow
[Water Solubility ] Soluble in water 210 g/L (20°C).
[Sensitive ] Hygroscopic
[Detection Methods] GC
[BRN ] 112220
[InChI] InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
[InChIKey] PKDPUENCROCRCH-UHFFFAOYSA-N
[SMILES] C(=O)(N1CCNCC1)C
[CAS DataBase Reference] 13889-98-0(CAS DataBase Reference)
[Storage Precautions] Store under nitrogen

Safety Data	Back Directory
[Symbol(GHS) ] GHS05,GHS07,GHS08
[Signal word ] Danger
[Hazard statements ] H302-H314-H334-H335
[Precautionary statements ] P261-P301+P312+P330-P303+P361+P353-P304+P340+P312-P305+P351+P338-P342+P311
[Hazard Codes ] Xi
[Risk Statements ] R36/38:Irritating to eyes and skin . R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ] 3
[F ] 3-10-34
[Hazard Note ] Irritant
[HS Code ] 29339900

Raw materials And Preparation Products	Back Directory
[Raw materials] Sodium hydroxide-->Methanol-->Tetrahydrofuran-->Dichloromethane-->Acetic acid-->Petroleum ether-->Potassium carbonate-->Chloroform-->Sodium sulfate-->Magnesium sulfate-->Acetic anhydride-->Triethylamine-->Acetyl chloride-->Piperazine-->Silica gel-->Piperazine hexahydrate
[Preparation Products] (4-Acetyl-piperazin-1-yl)-acetic acid-->methyl 4-(4-acetylpiperazin-1-yl)benzoate

Hazard Information	Back Directory
[Chemical Properties] clear light yellow liquid after melting
[Uses] 1-Acetylpiperazine may be used in the synthesis of series of 7-alkoxyl substituted indolizinoquinoline-5,12-dione derivatives and 2-substituted-N-(naphth-1-ylmethyl)-pyrimidin-4-amines and 2-substituted-N-benzhydrylpyrimidin-4-amines.
[Definition] ChEBI: 1-Acetylpiperazine is a member of phytanoyl-CoAs.
[General Description] Infrared and Raman spectra of 1-acetylpiperazine have been recorded in the region of 4000-40cm^-1.
[Purification Methods] Purify 1-acetylpiperazine by recrystallisation from 40% aqueous EtOH or from EtOH/Et2O. It is an irritant, and is hygroscopic. The hydrochloride has m 191o (from EtOH), and the tosylate salt has m 148-149o (from EtOH/EtOAc, 1:16). The free base, however, cannot be isolated by basifying the tosylate salt and extraction with CH2Cl2. [Jacobi Chem Ber 66 113 1933, Mosher et al. J Am Chem Soc 75 4949 1953, Hall J Am Chem Soc 78 2570 1956, Beilstein 23 IV 1786.]

Spectrum Detail	Back Directory
[Spectrum Detail] 1-Acetylpiperazine(13889-98-0)MS 1-Acetylpiperazine(13889-98-0)¹HNMR 1-Acetylpiperazine(13889-98-0)¹³CNMR 1-Acetylpiperazine(13889-98-0)IR1

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 1-Acetylpiperazine, 98%(13889-98-0)
[Alfa Aesar] 1-Acetylpiperazine, 99%(13889-98-0)
[Sigma Aldrich] 13889-98-0(sigmaaldrich)
[TCI AMERICA] 1-Acetylpiperazine,>98.0%(GC)(13889-98-0)

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