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2-Pyrimidinecarbonitrile

2-Cyanopyrimidine

CAS: 14080-23-0

Molecular Formula: C5H3N3

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2-Pyrimidinecarbonitrile - Names and Identifiers

Name 2-Cyanopyrimidine
Synonyms 2CPM
2-CPY
2-Cyanopyrimide
2-cyanpyrimidine
2-Cynopyrimidine
2-CYANOPYRIMIDINE
2-Cyanopyrimidine
2-Pyrimidinecarbonitrile
2-PYRIMIDINECARBONITRILE
PYRIMIDINE-2-CARBONITRILE
pyrimidine-2-carbonitrile
2-Pyrimidinecarbonitrile (6CI,7CI,8CI,9CI)
CAS 14080-23-0
EINECS 604-202-5
InChI InChI=1/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
InChIKey IIHQNAXFIODVDU-UHFFFAOYSA-N

2-Pyrimidinecarbonitrile - Physico-chemical Properties

Molecular FormulaC5H3N3
Molar Mass105.1
Density1.22±0.1 g/cm3(Predicted)
Melting Point40-44 °C (lit.)
Boling Point250.7±23.0 °C(Predicted)
Flash Point>230°F
Solubility soluble in Methanol
Vapor Presure0.0214mmHg at 25°C
AppearanceSolid
ColorWhite to yellow
pKa-3.27±0.13(Predicted)
Storage ConditionKeep in dark place,Sealed in dry,Room Temperature
Refractive Index1.54
MDLMFCD00160513
Physical and Chemical PropertiesMelting point 40-44°C
flash point> 110°C
UseUsed as a pharmaceutical Intermediate
In vitro study 2-Cyanopyrimidine is a 2-cyano-4-cyclohexylamino-pyrimidine derivative. Cathepsin K is a lysosomal cysteine protease.

2-Pyrimidinecarbonitrile - Risk and Safety

Risk CodesR22 - Harmful if swallowed
R37/38 - Irritating to respiratory system and skin.
R41 - Risk of serious damage to eyes
R43 - May cause sensitization by skin contact
R34 - Causes burns
R11 - Highly Flammable
R25 - Toxic if swallowed
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S16 - Keep away from sources of ignition.
S36/37 - Wear suitable protective clothing and gloves.
UN IDs3276
WGK Germany3
HS Code29335990
Hazard NoteHarmful
Hazard ClassIRRITANT
Packing GroupⅢ

2-Pyrimidinecarbonitrile - Reference Information

Preparation process of 2-cyanopyrimidine, the key intermediate of bosentan drug Alkyl benzene is used as the reaction solvent, cuprous iodide, potassium iodide and N,N'-dimethylethylenediamine are used as the combined catalyst, 2-bromopyrimidine and sodium cyanide are reacted at 100~150 ℃ for 20~48 hours under the protection of nitrogen, and then filtered, and the filtrate is washed, dried, and concentrated, 2-cyanopyrimidine was obtained by recrystallization separation with petroleum ether. The molar equivalent ratio of 2-bromopyrimidine to sodium cyanide is 1 ∶ 1.0~2.0; the amount of cuprous iodide is 5 ~ 30% molar equivalent of 2-bromopyrimidine; the amount of potassium iodide is 1.5~3 molar equivalent of cuprous iodide; the amount of N,N'-dimethylethylenediamine is 1~1.5 molar equivalent of 2-bromopyrimidine. Compared with the existing synthesis method, the invention has the following advantages: 1) the reaction condition is mild, 2) the reaction process is short, 3) the use of cheap reagents, 4) the feeding and post-treatment are very simple, easy to achieve large-scale industrial production.
biological activity 2-cyano-Pyrimidine is a cathepsin K inhibitor with IC50 of 170 nM.
TargetValue
Cathepsin K () 170 nM
use as a pharmaceutical intermediate
Last Update：2024-04-09 15:16:47
2-Pyrimidinecarbonitrile
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Hefei TNJ Chemical Industry Co.,Ltd.
Product Name: 2-Cyanopyrimidine Request for quotation
CAS: 14080-23-0
Tel: 0086-551-65418684
Email: sales@tnjchem.com
　　　　 info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840 Click to send a QQ message
Wechat: 0086 189 4982 3763
WhatsApp: 0086 189 4982 3763
Product List: View Catalog
Shanghai Yuanye Bio-Technology Co., Ltd.
Spot supply
Product Name: 2-Cyanopyrimidine Visit Supplier Webpage Request for quotation
CAS: 14080-23-0
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409 Click to send a QQ message
Wechat: 18301782025
Hangzhou Verychem Science And Technology Co.Ltd
Product Name: 2-Cyanopyrimidine Request for quotation
CAS: 14080-23-0
Tel: +86-571-88162785
Email: Lucy@verypharm.com
Mobile: +86-13606544505
QQ: 472954302 Click to send a QQ message
Product List: View Catalog
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2-Pyrimidinecarbonitrile
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