| Identification | Back Directory | [Name]
5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI) | [CAS]
1753-50-0 | [Synonyms]
2-Chloro-5-pyriMidinecarb...
2-Chloro-5-pyriMidinecarbonitril
2-Chloro-5-pyrimidinecarbonitrile
5-Pyrimidinecarbonitrile, 2-chloro-
5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI)
5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI) ISO 9001：2015 REACH | [Molecular Formula]
C5H2ClN3 | [MDL Number]
MFCD10697145 | [MOL File]
1753-50-0.mol | [Molecular Weight]
139.54 |
| Chemical Properties | Back Directory | [Melting point ]
130-132 °C | [Boiling point ]
331.3±15.0 °C(Predicted) | [density ]
1.43±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
-4.13±0.22(Predicted) | [Appearance]
Light brown to yellow Solid | [InChI]
InChI=1S/C5H2ClN3/c6-5-8-2-4(1-7)3-9-5/h2-3H | [InChIKey]
FXQSUQZXESNFNH-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=C(C#N)C=N1 |
| Questions And Answer | Back Directory | [Uses]
2-Chloro-5-cyanopyrimidine is a pyrimidine derivative and can be used as an important pharmaceutical intermediate for cancer treatment. |
| Hazard Information | Back Directory | [Synthesis]
To a stirring solution of 2-aminopyrimidine-5 -carbonitrile (1.0 g, 8.33 mmol) in CH3CN (15 ml) at room temperature under Argon added copper (II) chloride (1.679 g, 12.5 mmol) and test-butyl nitrite (1.288 g, 12.5 mmol). The reaction mixture was placed under Argon in a preheated oil bath (60 ℃). The reaction mixture was cooled to room temperature, and 20 ml of ether was added. The resulting insoluble material was filtered, and the filtrate was concentrated. The crude product was dissolved in a small amount of DCM (~2 ml) and loaded onto a 40 g ISCO silica gel column which was eluted with a 20 min gradient from 0% to 100% EtOAc/Hexanes. 723 mg (61%) of 2-chloropyrimidine-5-carbonitrile was obtained as a tan solid.
| [References]
[1] Patent: US2017/170419, 2017, A1. Location in patent: Paragraph 0041
[2] Patent: WO2010/9183, 2010, A1. Location in patent: Page/Page column 104-105
[3] Patent: WO2008/110611, 2008, A1. Location in patent: Page/Page column 37 |
|
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
|
| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
|