| Identification | More | [Name]
2-(1-Piperazinyl)pyrimidine | [CAS]
20980-22-7 | [Synonyms]
1-(2-PYRIMIDINYL)PIPERAZINE
1-(2-PYRIMIDYL)PIPERAZINE
1-PYRIMIDYL PIPERAZINE
2-(1-PIPERAZINYL)PYRIMIDINE
2-PIPERAZIN-1-YLPYRIMIDINE
2-PIPERAZINOPYRIMIDINE
AKOS BBS-00003690
LABOTEST-BB LT00233196
PMPRZ
RARECHEM AH CK 0195
TIMTEC-BB SBB003913
1-pp
2-(1-piperazinyl)-pyrimidin
4-(2-pyrimidinyl)piperazine
mj13653
n-(2-pyrimidinyl)piperazine
2-(1-Piperazino)pyrimidine
1-(Pyrimidin-2-yl)piperazine
1-Pyrimydinyl Piperazine
2-(1-Piperazinyl)pyrimidine, 98+% | [EINECS(EC#)]
244-135-5 | [Molecular Formula]
C8H12N4 | [MDL Number]
MFCD00040742 | [Molecular Weight]
164.21 | [MOL File]
20980-22-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid after melting | [Melting point ]
32-34°C | [Boiling point ]
277 °C (lit.) | [density ]
1.158 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.587(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Liquid After Melting | [pka]
8.68±0.10(Predicted) | [color ]
Clear yellow | [Water Solubility ]
almost transparency | [Sensitive ]
Hygroscopic | [Detection Methods]
NMR | [BRN ]
151178 | [InChI]
1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2 | [InChIKey]
MRBFGEHILMYPTF-UHFFFAOYSA-N | [SMILES]
C1CN(CCN1)c2ncccn2 | [CAS DataBase Reference]
20980-22-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
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 .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [RTECS ]
UV9702000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
8 | [HS Code ]
29335990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow liquid after melting | [Uses]
2-(1-Piperazinyl)pyrimidine | [Uses]
The major metabolite of Tandospirone. | [Definition]
ChEBI: 1-(2-Pyrimidyl)piperazine is a N-arylpiperazine. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 18, p. 1484, 1953 DOI: 10.1021/jo50017a004 | [General Description]
1-(2-Pyrimidyl)piperazine is a piperazine-based derivative. It is a metabolite of buspirone. | [Synthesis]
Generic method: 2-chloro-4,6-disubstituted pyrimidines (17) were prepared by reaction of the diazonium salt of 4,6-disubstituted pyrimidin-2-amine (16) with concentrated hydrochloric acid and ZnCl?[35]. Compound 18 was synthesized with reference to the method of literature [32] with modifications. To a stirred solution of piperazine (45 mmol) and K?CO? (16.5 mmol) in water (20 mL) was added 2-chloro-4,6-disubstituted pyrimidine (17) (18 mmol) in batches at 50-65 °C. The reaction mixture was stirred at 60-65 °C for 1 hour and subsequently cooled to 35 °C. The solid by-product 1,4-bispyrimidinylpiperazine was removed by filtration, the filtrate was extracted three times with chloroform, the organic phase was dried with Na?SO? and concentrated under reduced pressure to give compound 18, which could be used in the subsequent reaction without further purification.18a: yellow oil, 88% yield. | [storage]
-20°C | [References]
[1] Chinese Journal of Chemistry, 2015, vol. 33, # 10, p. 1124 - 1134
[2] European Journal of Medicinal Chemistry, 2016, vol. 117, p. 167 - 178
[3] Organic Letters, 2016, vol. 18, # 20, p. 5272 - 5275
[4] Journal of the American Chemical Society, 2017, vol. 139, # 33, p. 11357 - 11360
[5] Patent: CN107216318, 2017, A. Location in patent: Paragraph 0021; 0024; 0027 |
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J & K SCIENTIFIC LTD.
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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